(3S)-4-(6-bromo-2-chloroquinazolin-4-yl)-3-phenylmorpholine;4-[2-chloro-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-6-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-6-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one

C124H115BrCl2N22O13S2 — CID 167622351

IUPAC(3S)-4-(6-bromo-2-chloroquinazolin-4-yl)-3-phenylmorpholine;4-[2-chloro-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-6-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-6-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
SMILESCc1ccc(S(=O)(=O)n2ccc3c(-c4ccc5nc(-c6cnn(CC(C)(C)O)c6)nc(N6CCOC[C@@H]6c6ccccc6)c5c4)cn(C)c(=O)c32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(-c4ccc5nc(Cl)nc(N6CCOC[C@@H]6c6ccccc6)c5c4)cn(C)c(=O)c32)cc1.Clc1nc(N2CCOC[C@@H]2c2ccccc2)c2cc(Br)ccc2n1.Cn1cc(-c2ccc3nc(-c4cnn(CC(C)(C)O)c4)nc(N4CCOC[C@@H]4c4ccccc4)c3c2)c2cc[nH]c2c1=O
InChIInChI=1S/C40H39N7O5S.C33H28ClN5O4S.C33H33N7O3.C18H15BrClN3O/c1-26-10-13-30(14-11-26)53(50,51)47-17-16-31-33(23-44(4)39(48)36(31)47)28-12-15-34-32(20-28)38(46-18-19-52-24-35(46)27-8-6-5-7-9-27)43-37(42-34)29-21-41-45(22-29)25-40(2,3)49;1-21-8-11-24(12-9-21)44(41,42)39-15-14-25-27(19-37(2)32(40)30(25)39)23-10-13-28-26(18-23)31(36-33(34)35-28)38-16-17-43-20-29(38)22-6-4-3-5-7-22;1-33(2,42)20-39-17-23(16-35-39)30-36-27-10-9-22(26-18-38(3)32(41)29-24(26)11-12-34-29)15-25(27)31(37-30)40-13-14-43-19-28(40)21-7-5-4-6-8-21;19-13-6-7-15-14(10-13)17(22-18(20)21-15)23-8-9-24-11-16(23)12-4-2-1-3-5-12/h5-17,20-23,35,49H,18-19,24-25H2,1-4H3;3-15,18-19,29H,16-17,20H2,1-2H3;4-12,15-18,28,34,42H,13-14,19-20H2,1-3H3;1-7,10,16H,8-9,11H2/t35-;29-;28-;16-/m1111/s1
InChIKeyMPSULMNFFARKPT-UVYGATBSSA-N
MW2336.37 g/mol
LogP20.75
Rot. Bonds21

About (3S)-4-(6-bromo-2-chloroquinazolin-4-yl)-3-phenylmorpholine;4-[2-chloro-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-6-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-6-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one

(3S)-4-(6-bromo-2-chloroquinazolin-4-yl)-3-phenylmorpholine;4-[2-chloro-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-6-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-6-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one (PubChem CID 167622351) has the molecular formula C124H115BrCl2N22O13S2 and a molecular weight of 2336.37 g/mol. Its IUPAC name is (3S)-4-(6-bromo-2-chloroquinazolin-4-yl)-3-phenylmorpholine;4-[2-chloro-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-6-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-6-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name(3S)-4-(6-bromo-2-chloroquinazolin-4-yl)-3-phenylmorpholine;4-[2-chloro-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-6-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-6-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
PubChem CID167622351
Molecular FormulaC124H115BrCl2N22O13S2
Molecular Weight2336.37 g/mol
Exact Mass2332.70
IUPAC Name(3S)-4-(6-bromo-2-chloroquinazolin-4-yl)-3-phenylmorpholine;4-[2-chloro-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-6-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-6-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
SMILESCc1ccc(S(=O)(=O)n2ccc3c(-c4ccc5nc(-c6cnn(CC(C)(C)O)c6)nc(N6CCOC[C@@H]6c6ccccc6)c5c4)cn(C)c(=O)c32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(-c4ccc5nc(Cl)nc(N6CCOC[C@@H]6c6ccccc6)c5c4)cn(C)c(=O)c32)cc1.Clc1nc(N2CCOC[C@@H]2c2ccccc2)c2cc(Br)ccc2n1.Cn1cc(-c2ccc3nc(-c4cnn(CC(C)(C)O)c4)nc(N4CCOC[C@@H]4c4ccccc4)c3c2)c2cc[nH]c2c1=O
InChIInChI=1S/C40H39N7O5S.C33H28ClN5O4S.C33H33N7O3.C18H15BrClN3O/c1-26-10-13-30(14-11-26)53(50,51)47-17-16-31-33(23-44(4)39(48)36(31)47)28-12-15-34-32(20-28)38(46-18-19-52-24-35(46)27-8-6-5-7-9-27)43-37(42-34)29-21-41-45(22-29)25-40(2,3)49;1-21-8-11-24(12-9-21)44(41,42)39-15-14-25-27(19-37(2)32(40)30(25)39)23-10-13-28-26(18-23)31(36-33(34)35-28)38-16-17-43-20-29(38)22-6-4-3-5-7-22;1-33(2,42)20-39-17-23(16-35-39)30-36-27-10-9-22(26-18-38(3)32(41)29-24(26)11-12-34-29)15-25(27)31(37-30)40-13-14-43-19-28(40)21-7-5-4-6-8-21;19-13-6-7-15-14(10-13)17(22-18(20)21-15)23-8-9-24-11-16(23)12-4-2-1-3-5-12/h5-17,20-23,35,49H,18-19,24-25H2,1-4H3;3-15,18-19,29H,16-17,20H2,1-2H3;4-12,15-18,28,34,42H,13-14,19-20H2,1-3H3;1-7,10,16H,8-9,11H2/t35-;29-;28-;16-/m1111/s1
InChIKeyMPSULMNFFARKPT-UVYGATBSSA-N
XLogP20.75
TPSA389.03 Ų
H-Bond Donors3
H-Bond Acceptors34
Rotatable Bonds21
Heavy Atoms164
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002336.37
LogP ≤ 520.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1034

Analyze (3S)-4-(6-bromo-2-chloroquinazolin-4-yl)-3-phenylmorpholine;4-[2-chloro-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-6-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-6-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one with MolForge

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Related Compounds

1-(benzenesulfonyl)-2-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;5-bromo-1H-indazole-3-carboxylic acid;tert-butyl N-[1-[5-[1-(benzenesulfonyl)-2-phenylpyrrolo[2,3-b]pyridin-5-yl]-1H-indazole-3-carbonyl]piperidin-4-yl]carbamate;bis(tert-butyl N-[1-(5-bromo-1H-indazole-3-carbonyl)piperidin-4-yl]carbamate);tert-butyl 2-piperidin-4-ylacetate
CID 158295580
1-[4-[4-[(3S)-3-(4-fluorophenyl)morpholin-4-yl]-6-(6-methyl-7-methylidene-1H-pyrrolo[2,3-c]pyridin-4-yl)quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol;4-[2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
CID 167551696
4-[2-chloro-4-[(3S)-3-cyclohexylmorpholin-4-yl]quinazolin-6-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[4-[(3S)-3-cyclohexylmorpholin-4-yl]-2-[(2S)-2-(hydroxymethyl)morpholin-4-yl]quinazolin-6-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[4-[(3S)-3-cyclohexylmorpholin-4-yl]-2-[(2S)-2-(hydroxymethyl)morpholin-4-yl]quinazolin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
CID 167700559

Frequently Asked Questions

What is the IUPAC name of (3S)-4-(6-bromo-2-chloroquinazolin-4-yl)-3-phenylmorpholine;4-[2-chloro-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-6-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-6-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one?
The IUPAC name of (3S)-4-(6-bromo-2-chloroquinazolin-4-yl)-3-phenylmorpholine;4-[2-chloro-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-6-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-6-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one (CID 167622351) is (3S)-4-(6-bromo-2-chloroquinazolin-4-yl)-3-phenylmorpholine;4-[2-chloro-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-6-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-6-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one.
What is the SMILES notation for (3S)-4-(6-bromo-2-chloroquinazolin-4-yl)-3-phenylmorpholine;4-[2-chloro-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-6-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-6-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one?
The canonical SMILES for (3S)-4-(6-bromo-2-chloroquinazolin-4-yl)-3-phenylmorpholine;4-[2-chloro-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-6-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-6-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one is Cc1ccc(S(=O)(=O)n2ccc3c(-c4ccc5nc(-c6cnn(CC(C)(C)O)c6)nc(N6CCOC[C@@H]6c6ccccc6)c5c4)cn(C)c(=O)c32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(-c4ccc5nc(Cl)nc(N6CCOC[C@@H]6c6ccccc6)c5c4)cn(C)c(=O)c32)cc1.Clc1nc(N2CCOC[C@@H]2c2ccccc2)c2cc(Br)ccc2n1.Cn1cc(-c2ccc3nc(-c4cnn(CC(C)(C)O)c4)nc(N4CCOC[C@@H]4c4ccccc4)c3c2)c2cc[nH]c2c1=O.
What is the InChIKey of (3S)-4-(6-bromo-2-chloroquinazolin-4-yl)-3-phenylmorpholine;4-[2-chloro-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-6-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-6-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one?
The InChIKey is MPSULMNFFARKPT-UVYGATBSSA-N. The full InChI is InChI=1S/C40H39N7O5S.C33H28ClN5O4S.C33H33N7O3.C18H15BrClN3O/c1-26-10-13-30(14-11-26)53(50,51)47-17-16-31-33(23-44(4)39(48)36(31)47)28-12-15-34-32(20-28)38(46-18-19-52-24-35(46)27-8-6-5-7-9-27)43-37(42-34)29-21-41-45(22-29)25-40(2,3)49;1-21-8-11-24(12-9-21)44(41,42)39-15-14-25-27(19-37(2)32(40)30(25)39)23-10-13-28-26(18-23)31(36-33(34)35-28)38-16-17-43-20-29(38)22-6-4-3-5-7-22;1-33(2,42)20-39-17-23(16-35-39)30-36-27-10-9-22(26-18-38(3)32(41)29-24(26)11-12-34-29)15-25(27)31(37-30)40-13-14-43-19-28(40)21-7-5-4-6-8-21;19-13-6-7-15-14(10-13)17(22-18(20)21-15)23-8-9-24-11-16(23)12-4-2-1-3-5-12/h5-17,20-23,35,49H,18-19,24-25H2,1-4H3;3-15,18-19,29H,16-17,20H2,1-2H3;4-12,15-18,28,34,42H,13-14,19-20H2,1-3H3;1-7,10,16H,8-9,11H2/t35-;29-;28-;16-/m1111/s1.
What are the key properties of (3S)-4-(6-bromo-2-chloroquinazolin-4-yl)-3-phenylmorpholine;4-[2-chloro-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-6-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-6-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one?
(3S)-4-(6-bromo-2-chloroquinazolin-4-yl)-3-phenylmorpholine;4-[2-chloro-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-6-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-6-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one has a molecular weight of 2336.37 g/mol, XLogP of 20.75, 21 rotatable bonds, 3 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-(6-bromo-2-chloroquinazolin-4-yl)-3-phenylmorpholine;4-[2-chloro-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-6-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-6-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 167622351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).