4-[2-chloro-4-[3-(pyrrol-1-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-(3-methylphenyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-(pyrimidin-2-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine

C90H108ClN21O4 — CID 161497386

IUPAC4-[2-chloro-4-[3-(pyrrol-1-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-(3-methylphenyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-(pyrimidin-2-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine
SMILESCc1cccc(C2CCCN(c3ncnc4cc(N5CCOCC5)ccc34)C2)c1.Clc1nc(N2CCCC(Cn3cccc3)C2)c2ccc(N3CCOCC3)cc2n1.Cn1ccnc1CC1CCCN(c2ncnc3cc(N4CCOCC4)ccc23)C1.c1cnc(CC2CCCN(c3ncnc4cc(N5CCOCC5)ccc34)C2)nc1
InChIInChI=1S/C24H28N4O.C22H26ClN5O.C22H28N6O.C22H26N6O/c1-18-4-2-5-19(14-18)20-6-3-9-28(16-20)24-22-8-7-21(15-23(22)25-17-26-24)27-10-12-29-13-11-27;23-22-24-20-14-18(27-10-12-29-13-11-27)5-6-19(20)21(25-22)28-9-3-4-17(16-28)15-26-7-1-2-8-26;1-26-8-6-23-21(26)13-17-3-2-7-28(15-17)22-19-5-4-18(14-20(19)24-16-25-22)27-9-11-29-12-10-27;1-3-17(13-21-23-6-2-7-24-21)15-28(8-1)22-19-5-4-18(14-20(19)25-16-26-22)27-9-11-29-12-10-27/h2,4-5,7-8,14-15,17,20H,3,6,9-13,16H2,1H3;1-2,5-8,14,17H,3-4,9-13,15-16H2;4-6,8,14,16-17H,2-3,7,9-13,15H2,1H3;2,4-7,14,16-17H,1,3,8-13,15H2
InChIKeyWGJPYDDYPKRESN-UHFFFAOYSA-N
MW1583.45 g/mol
LogP13.37
Rot. Bonds15

About 4-[2-chloro-4-[3-(pyrrol-1-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-(3-methylphenyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-(pyrimidin-2-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine

4-[2-chloro-4-[3-(pyrrol-1-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-(3-methylphenyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-(pyrimidin-2-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine (PubChem CID 161497386) has the molecular formula C90H108ClN21O4 and a molecular weight of 1583.45 g/mol. Its IUPAC name is 4-[2-chloro-4-[3-(pyrrol-1-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-(3-methylphenyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-(pyrimidin-2-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine.

Molecular Properties

Compound Name4-[2-chloro-4-[3-(pyrrol-1-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-(3-methylphenyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-(pyrimidin-2-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine
PubChem CID161497386
Molecular FormulaC90H108ClN21O4
Molecular Weight1583.45 g/mol
Exact Mass1581.86
IUPAC Name4-[2-chloro-4-[3-(pyrrol-1-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-(3-methylphenyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-(pyrimidin-2-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine
SMILESCc1cccc(C2CCCN(c3ncnc4cc(N5CCOCC5)ccc34)C2)c1.Clc1nc(N2CCCC(Cn3cccc3)C2)c2ccc(N3CCOCC3)cc2n1.Cn1ccnc1CC1CCCN(c2ncnc3cc(N4CCOCC4)ccc23)C1.c1cnc(CC2CCCN(c3ncnc4cc(N5CCOCC5)ccc34)C2)nc1
InChIInChI=1S/C24H28N4O.C22H26ClN5O.C22H28N6O.C22H26N6O/c1-18-4-2-5-19(14-18)20-6-3-9-28(16-20)24-22-8-7-21(15-23(22)25-17-26-24)27-10-12-29-13-11-27;23-22-24-20-14-18(27-10-12-29-13-11-27)5-6-19(20)21(25-22)28-9-3-4-17(16-28)15-26-7-1-2-8-26;1-26-8-6-23-21(26)13-17-3-2-7-28(15-17)22-19-5-4-18(14-20(19)24-16-25-22)27-9-11-29-12-10-27;1-3-17(13-21-23-6-2-7-24-21)15-28(8-1)22-19-5-4-18(14-20(19)25-16-26-22)27-9-11-29-12-10-27/h2,4-5,7-8,14-15,17,20H,3,6,9-13,16H2,1H3;1-2,5-8,14,17H,3-4,9-13,15-16H2;4-6,8,14,16-17H,2-3,7,9-13,15H2,1H3;2,4-7,14,16-17H,1,3,8-13,15H2
InChIKeyWGJPYDDYPKRESN-UHFFFAOYSA-N
XLogP13.37
TPSA214.49 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds15
Heavy Atoms116
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001583.45
LogP ≤ 513.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Analyze 4-[2-chloro-4-[3-(pyrrol-1-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-(3-methylphenyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-(pyrimidin-2-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2-chloro-4-[3-(pyrrol-1-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-(3-methylphenyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-(pyrimidin-2-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine?
The IUPAC name of 4-[2-chloro-4-[3-(pyrrol-1-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-(3-methylphenyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-(pyrimidin-2-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine (CID 161497386) is 4-[2-chloro-4-[3-(pyrrol-1-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-(3-methylphenyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-(pyrimidin-2-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine.
What is the SMILES notation for 4-[2-chloro-4-[3-(pyrrol-1-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-(3-methylphenyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-(pyrimidin-2-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine?
The canonical SMILES for 4-[2-chloro-4-[3-(pyrrol-1-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-(3-methylphenyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-(pyrimidin-2-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine is Cc1cccc(C2CCCN(c3ncnc4cc(N5CCOCC5)ccc34)C2)c1.Clc1nc(N2CCCC(Cn3cccc3)C2)c2ccc(N3CCOCC3)cc2n1.Cn1ccnc1CC1CCCN(c2ncnc3cc(N4CCOCC4)ccc23)C1.c1cnc(CC2CCCN(c3ncnc4cc(N5CCOCC5)ccc34)C2)nc1.
What is the InChIKey of 4-[2-chloro-4-[3-(pyrrol-1-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-(3-methylphenyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-(pyrimidin-2-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine?
The InChIKey is WGJPYDDYPKRESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O.C22H26ClN5O.C22H28N6O.C22H26N6O/c1-18-4-2-5-19(14-18)20-6-3-9-28(16-20)24-22-8-7-21(15-23(22)25-17-26-24)27-10-12-29-13-11-27;23-22-24-20-14-18(27-10-12-29-13-11-27)5-6-19(20)21(25-22)28-9-3-4-17(16-28)15-26-7-1-2-8-26;1-26-8-6-23-21(26)13-17-3-2-7-28(15-17)22-19-5-4-18(14-20(19)24-16-25-22)27-9-11-29-12-10-27;1-3-17(13-21-23-6-2-7-24-21)15-28(8-1)22-19-5-4-18(14-20(19)25-16-26-22)27-9-11-29-12-10-27/h2,4-5,7-8,14-15,17,20H,3,6,9-13,16H2,1H3;1-2,5-8,14,17H,3-4,9-13,15-16H2;4-6,8,14,16-17H,2-3,7,9-13,15H2,1H3;2,4-7,14,16-17H,1,3,8-13,15H2.
What are the key properties of 4-[2-chloro-4-[3-(pyrrol-1-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-(3-methylphenyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-(pyrimidin-2-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine?
4-[2-chloro-4-[3-(pyrrol-1-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-(3-methylphenyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-(pyrimidin-2-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine has a molecular weight of 1583.45 g/mol, XLogP of 13.37, 15 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-chloro-4-[3-(pyrrol-1-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-(3-methylphenyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-(pyrimidin-2-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine is sourced from PubChem (CID 161497386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).