(2S)-1-(2-chloro-8-propan-2-yloxyquinazolin-4-yl)pyrrolidine-2-carboxamide;2,4-dichloro-8-propan-2-yloxyquinazoline;(2S)-1-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-8-propan-2-yloxyquinazolin-4-yl]pyrrolidine-2-carboxamide;(2S)-pyrrolidine-2-carboxamide;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine

C72H87Cl3N18O10 — CID 167600259

IUPAC(2S)-1-(2-chloro-8-propan-2-yloxyquinazolin-4-yl)pyrrolidine-2-carboxamide;2,4-dichloro-8-propan-2-yloxyquinazoline;(2S)-1-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-8-propan-2-yloxyquinazolin-4-yl]pyrrolidine-2-carboxamide;(2S)-pyrrolidine-2-carboxamide;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine
SMILESCC(C)Oc1cccc2c(Cl)nc(Cl)nc12.CC(C)Oc1cccc2c(N3CCC[C@H]3C(N)=O)nc(Cl)nc12.COc1cc(-n2cnc(N)c2)cc(OC)c1OC.COc1cc(-n2cnc(Nc3nc(N4CCC[C@H]4C(N)=O)c4cccc(OC(C)C)c4n3)c2)cc(C)c1C.NC(=O)[C@@H]1CCCN1
InChIInChI=1S/C28H33N7O3.C16H19ClN4O2.C12H15N3O3.C11H10Cl2N2O.C5H10N2O/c1-16(2)38-22-10-6-8-20-25(22)32-28(33-27(20)35-11-7-9-21(35)26(29)36)31-24-14-34(15-30-24)19-12-17(3)18(4)23(13-19)37-5;1-9(2)23-12-7-3-5-10-13(12)19-16(17)20-15(10)21-8-4-6-11(21)14(18)22;1-16-9-4-8(15-6-11(13)14-7-15)5-10(17-2)12(9)18-3;1-6(2)16-8-5-3-4-7-9(8)14-11(13)15-10(7)12;6-5(8)4-2-1-3-7-4/h6,8,10,12-16,21H,7,9,11H2,1-5H3,(H2,29,36)(H,31,32,33);3,5,7,9,11H,4,6,8H2,1-2H3,(H2,18,22);4-7H,13H2,1-3H3;3-6H,1-2H3;4,7H,1-3H2,(H2,6,8)/t21-;11-;;;4-/m00..0/s1
InChIKeyJPZLBUOPYQUNJH-AVBMBZKHSA-N
MW1470.96 g/mol
LogP11.38
Rot. Bonds19

About (2S)-1-(2-chloro-8-propan-2-yloxyquinazolin-4-yl)pyrrolidine-2-carboxamide;2,4-dichloro-8-propan-2-yloxyquinazoline;(2S)-1-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-8-propan-2-yloxyquinazolin-4-yl]pyrrolidine-2-carboxamide;(2S)-pyrrolidine-2-carboxamide;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine

(2S)-1-(2-chloro-8-propan-2-yloxyquinazolin-4-yl)pyrrolidine-2-carboxamide;2,4-dichloro-8-propan-2-yloxyquinazoline;(2S)-1-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-8-propan-2-yloxyquinazolin-4-yl]pyrrolidine-2-carboxamide;(2S)-pyrrolidine-2-carboxamide;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine (PubChem CID 167600259) has the molecular formula C72H87Cl3N18O10 and a molecular weight of 1470.96 g/mol. Its IUPAC name is (2S)-1-(2-chloro-8-propan-2-yloxyquinazolin-4-yl)pyrrolidine-2-carboxamide;2,4-dichloro-8-propan-2-yloxyquinazoline;(2S)-1-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-8-propan-2-yloxyquinazolin-4-yl]pyrrolidine-2-carboxamide;(2S)-pyrrolidine-2-carboxamide;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine.

Molecular Properties

Compound Name(2S)-1-(2-chloro-8-propan-2-yloxyquinazolin-4-yl)pyrrolidine-2-carboxamide;2,4-dichloro-8-propan-2-yloxyquinazoline;(2S)-1-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-8-propan-2-yloxyquinazolin-4-yl]pyrrolidine-2-carboxamide;(2S)-pyrrolidine-2-carboxamide;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine
PubChem CID167600259
Molecular FormulaC72H87Cl3N18O10
Molecular Weight1470.96 g/mol
Exact Mass1468.59
IUPAC Name(2S)-1-(2-chloro-8-propan-2-yloxyquinazolin-4-yl)pyrrolidine-2-carboxamide;2,4-dichloro-8-propan-2-yloxyquinazoline;(2S)-1-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-8-propan-2-yloxyquinazolin-4-yl]pyrrolidine-2-carboxamide;(2S)-pyrrolidine-2-carboxamide;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine
SMILESCC(C)Oc1cccc2c(Cl)nc(Cl)nc12.CC(C)Oc1cccc2c(N3CCC[C@H]3C(N)=O)nc(Cl)nc12.COc1cc(-n2cnc(N)c2)cc(OC)c1OC.COc1cc(-n2cnc(Nc3nc(N4CCC[C@H]4C(N)=O)c4cccc(OC(C)C)c4n3)c2)cc(C)c1C.NC(=O)[C@@H]1CCCN1
InChIInChI=1S/C28H33N7O3.C16H19ClN4O2.C12H15N3O3.C11H10Cl2N2O.C5H10N2O/c1-16(2)38-22-10-6-8-20-25(22)32-28(33-27(20)35-11-7-9-21(35)26(29)36)31-24-14-34(15-30-24)19-12-17(3)18(4)23(13-19)37-5;1-9(2)23-12-7-3-5-10-13(12)19-16(17)20-15(10)21-8-4-6-11(21)14(18)22;1-16-9-4-8(15-6-11(13)14-7-15)5-10(17-2)12(9)18-3;1-6(2)16-8-5-3-4-7-9(8)14-11(13)15-10(7)12;6-5(8)4-2-1-3-7-4/h6,8,10,12-16,21H,7,9,11H2,1-5H3,(H2,29,36)(H,31,32,33);3,5,7,9,11H,4,6,8H2,1-2H3,(H2,18,22);4-7H,13H2,1-3H3;3-6H,1-2H3;4,7H,1-3H2,(H2,6,8)/t21-;11-;;;4-/m00..0/s1
InChIKeyJPZLBUOPYQUNJH-AVBMBZKHSA-N
XLogP11.38
TPSA363.42 Ų
H-Bond Donors6
H-Bond Acceptors25
Rotatable Bonds19
Heavy Atoms103
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001470.96
LogP ≤ 511.38
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1025

Analyze (2S)-1-(2-chloro-8-propan-2-yloxyquinazolin-4-yl)pyrrolidine-2-carboxamide;2,4-dichloro-8-propan-2-yloxyquinazoline;(2S)-1-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-8-propan-2-yloxyquinazolin-4-yl]pyrrolidine-2-carboxamide;(2S)-pyrrolidine-2-carboxamide;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-chloro-8-propan-2-yloxyquinazolin-4-yl)pyrrolidine-2-carboxamide;2,4-dichloro-8-propan-2-yloxyquinazoline;(2S)-1-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-8-propan-2-yloxyquinazolin-4-yl]pyrrolidine-2-carboxamide;(2S)-pyrrolidine-2-carboxamide;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine?
The IUPAC name of (2S)-1-(2-chloro-8-propan-2-yloxyquinazolin-4-yl)pyrrolidine-2-carboxamide;2,4-dichloro-8-propan-2-yloxyquinazoline;(2S)-1-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-8-propan-2-yloxyquinazolin-4-yl]pyrrolidine-2-carboxamide;(2S)-pyrrolidine-2-carboxamide;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine (CID 167600259) is (2S)-1-(2-chloro-8-propan-2-yloxyquinazolin-4-yl)pyrrolidine-2-carboxamide;2,4-dichloro-8-propan-2-yloxyquinazoline;(2S)-1-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-8-propan-2-yloxyquinazolin-4-yl]pyrrolidine-2-carboxamide;(2S)-pyrrolidine-2-carboxamide;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine.
What is the SMILES notation for (2S)-1-(2-chloro-8-propan-2-yloxyquinazolin-4-yl)pyrrolidine-2-carboxamide;2,4-dichloro-8-propan-2-yloxyquinazoline;(2S)-1-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-8-propan-2-yloxyquinazolin-4-yl]pyrrolidine-2-carboxamide;(2S)-pyrrolidine-2-carboxamide;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine?
The canonical SMILES for (2S)-1-(2-chloro-8-propan-2-yloxyquinazolin-4-yl)pyrrolidine-2-carboxamide;2,4-dichloro-8-propan-2-yloxyquinazoline;(2S)-1-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-8-propan-2-yloxyquinazolin-4-yl]pyrrolidine-2-carboxamide;(2S)-pyrrolidine-2-carboxamide;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine is CC(C)Oc1cccc2c(Cl)nc(Cl)nc12.CC(C)Oc1cccc2c(N3CCC[C@H]3C(N)=O)nc(Cl)nc12.COc1cc(-n2cnc(N)c2)cc(OC)c1OC.COc1cc(-n2cnc(Nc3nc(N4CCC[C@H]4C(N)=O)c4cccc(OC(C)C)c4n3)c2)cc(C)c1C.NC(=O)[C@@H]1CCCN1.
What is the InChIKey of (2S)-1-(2-chloro-8-propan-2-yloxyquinazolin-4-yl)pyrrolidine-2-carboxamide;2,4-dichloro-8-propan-2-yloxyquinazoline;(2S)-1-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-8-propan-2-yloxyquinazolin-4-yl]pyrrolidine-2-carboxamide;(2S)-pyrrolidine-2-carboxamide;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine?
The InChIKey is JPZLBUOPYQUNJH-AVBMBZKHSA-N. The full InChI is InChI=1S/C28H33N7O3.C16H19ClN4O2.C12H15N3O3.C11H10Cl2N2O.C5H10N2O/c1-16(2)38-22-10-6-8-20-25(22)32-28(33-27(20)35-11-7-9-21(35)26(29)36)31-24-14-34(15-30-24)19-12-17(3)18(4)23(13-19)37-5;1-9(2)23-12-7-3-5-10-13(12)19-16(17)20-15(10)21-8-4-6-11(21)14(18)22;1-16-9-4-8(15-6-11(13)14-7-15)5-10(17-2)12(9)18-3;1-6(2)16-8-5-3-4-7-9(8)14-11(13)15-10(7)12;6-5(8)4-2-1-3-7-4/h6,8,10,12-16,21H,7,9,11H2,1-5H3,(H2,29,36)(H,31,32,33);3,5,7,9,11H,4,6,8H2,1-2H3,(H2,18,22);4-7H,13H2,1-3H3;3-6H,1-2H3;4,7H,1-3H2,(H2,6,8)/t21-;11-;;;4-/m00..0/s1.
What are the key properties of (2S)-1-(2-chloro-8-propan-2-yloxyquinazolin-4-yl)pyrrolidine-2-carboxamide;2,4-dichloro-8-propan-2-yloxyquinazoline;(2S)-1-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-8-propan-2-yloxyquinazolin-4-yl]pyrrolidine-2-carboxamide;(2S)-pyrrolidine-2-carboxamide;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine?
(2S)-1-(2-chloro-8-propan-2-yloxyquinazolin-4-yl)pyrrolidine-2-carboxamide;2,4-dichloro-8-propan-2-yloxyquinazoline;(2S)-1-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-8-propan-2-yloxyquinazolin-4-yl]pyrrolidine-2-carboxamide;(2S)-pyrrolidine-2-carboxamide;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine has a molecular weight of 1470.96 g/mol, XLogP of 11.38, 19 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-chloro-8-propan-2-yloxyquinazolin-4-yl)pyrrolidine-2-carboxamide;2,4-dichloro-8-propan-2-yloxyquinazoline;(2S)-1-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-8-propan-2-yloxyquinazolin-4-yl]pyrrolidine-2-carboxamide;(2S)-pyrrolidine-2-carboxamide;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine is sourced from PubChem (CID 167600259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).