N-(1H-benzimidazol-2-yl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine;2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-N,N-dimethylbenzimidazole-1-carboxamide

C45H37N13O3 — CID 157230929

IUPACN-(1H-benzimidazol-2-yl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine;2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-N,N-dimethylbenzimidazole-1-carboxamide
SMILESCOc1ccc2nc(-c3cccnc3)nc(Nc3nc4ccccc4[nH]3)c2c1.COc1ccc2nc(-c3cccnc3)nc(Nc3nc4ccccc4n3C(=O)N(C)C)c2c1
InChIInChI=1S/C24H21N7O2.C21H16N6O/c1-30(2)24(32)31-20-9-5-4-8-19(20)27-23(31)29-22-17-13-16(33-3)10-11-18(17)26-21(28-22)15-7-6-12-25-14-15;1-28-14-8-9-16-15(11-14)20(26-19(23-16)13-5-4-10-22-12-13)27-21-24-17-6-2-3-7-18(17)25-21/h4-14H,1-3H3,(H,26,27,28,29);2-12H,1H3,(H2,23,24,25,26,27)
InChIKeyAUBYTPNGHZABHN-UHFFFAOYSA-N
MW807.88 g/mol
LogP8.64
Rot. Bonds8

About N-(1H-benzimidazol-2-yl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine;2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-N,N-dimethylbenzimidazole-1-carboxamide

N-(1H-benzimidazol-2-yl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine;2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-N,N-dimethylbenzimidazole-1-carboxamide (PubChem CID 157230929) has the molecular formula C45H37N13O3 and a molecular weight of 807.88 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine;2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-N,N-dimethylbenzimidazole-1-carboxamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine;2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-N,N-dimethylbenzimidazole-1-carboxamide
PubChem CID157230929
Molecular FormulaC45H37N13O3
Molecular Weight807.88 g/mol
Exact Mass807.31
IUPAC NameN-(1H-benzimidazol-2-yl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine;2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-N,N-dimethylbenzimidazole-1-carboxamide
SMILESCOc1ccc2nc(-c3cccnc3)nc(Nc3nc4ccccc4[nH]3)c2c1.COc1ccc2nc(-c3cccnc3)nc(Nc3nc4ccccc4n3C(=O)N(C)C)c2c1
InChIInChI=1S/C24H21N7O2.C21H16N6O/c1-30(2)24(32)31-20-9-5-4-8-19(20)27-23(31)29-22-17-13-16(33-3)10-11-18(17)26-21(28-22)15-7-6-12-25-14-15;1-28-14-8-9-16-15(11-14)20(26-19(23-16)13-5-4-10-22-12-13)27-21-24-17-6-2-3-7-18(17)25-21/h4-14H,1-3H3,(H,26,27,28,29);2-12H,1H3,(H2,23,24,25,26,27)
InChIKeyAUBYTPNGHZABHN-UHFFFAOYSA-N
XLogP8.64
TPSA186.67 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500807.88
LogP ≤ 58.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Analyze N-(1H-benzimidazol-2-yl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine;2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-N,N-dimethylbenzimidazole-1-carboxamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine;2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-N,N-dimethylbenzimidazole-1-carboxamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine;2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-N,N-dimethylbenzimidazole-1-carboxamide (CID 157230929) is N-(1H-benzimidazol-2-yl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine;2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-N,N-dimethylbenzimidazole-1-carboxamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine;2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-N,N-dimethylbenzimidazole-1-carboxamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine;2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-N,N-dimethylbenzimidazole-1-carboxamide is COc1ccc2nc(-c3cccnc3)nc(Nc3nc4ccccc4[nH]3)c2c1.COc1ccc2nc(-c3cccnc3)nc(Nc3nc4ccccc4n3C(=O)N(C)C)c2c1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine;2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-N,N-dimethylbenzimidazole-1-carboxamide?
The InChIKey is AUBYTPNGHZABHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N7O2.C21H16N6O/c1-30(2)24(32)31-20-9-5-4-8-19(20)27-23(31)29-22-17-13-16(33-3)10-11-18(17)26-21(28-22)15-7-6-12-25-14-15;1-28-14-8-9-16-15(11-14)20(26-19(23-16)13-5-4-10-22-12-13)27-21-24-17-6-2-3-7-18(17)25-21/h4-14H,1-3H3,(H,26,27,28,29);2-12H,1H3,(H2,23,24,25,26,27).
What are the key properties of N-(1H-benzimidazol-2-yl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine;2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-N,N-dimethylbenzimidazole-1-carboxamide?
N-(1H-benzimidazol-2-yl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine;2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-N,N-dimethylbenzimidazole-1-carboxamide has a molecular weight of 807.88 g/mol, XLogP of 8.64, 8 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine;2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-N,N-dimethylbenzimidazole-1-carboxamide is sourced from PubChem (CID 157230929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).