N-[(4-chlorophenyl)methyl]-2-[(7-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide

C27H19Cl2N5O — CID 71181264

IUPACN-[(4-chlorophenyl)methyl]-2-[(7-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide
SMILESO=C(NCc1ccc(Cl)cc1)c1ccccc1Nc1nc(-c2cccnc2)nc2cc(Cl)ccc12
InChIInChI=1S/C27H19Cl2N5O/c28-19-9-7-17(8-10-19)15-31-27(35)22-5-1-2-6-23(22)32-26-21-12-11-20(29)14-24(21)33-25(34-26)18-4-3-13-30-16-18/h1-14,16H,15H2,(H,31,35)(H,32,33,34)
InChIKeyPBTUFRIJRZWJPP-UHFFFAOYSA-N
MW500.39 g/mol
LogP6.67
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-2-[(7-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide

N-[(4-chlorophenyl)methyl]-2-[(7-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide (PubChem CID 71181264) has the molecular formula C27H19Cl2N5O and a molecular weight of 500.39 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-[(7-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-[(7-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide
PubChem CID71181264
Molecular FormulaC27H19Cl2N5O
Molecular Weight500.39 g/mol
Exact Mass499.10
IUPAC NameN-[(4-chlorophenyl)methyl]-2-[(7-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide
SMILESO=C(NCc1ccc(Cl)cc1)c1ccccc1Nc1nc(-c2cccnc2)nc2cc(Cl)ccc12
InChIInChI=1S/C27H19Cl2N5O/c28-19-9-7-17(8-10-19)15-31-27(35)22-5-1-2-6-23(22)32-26-21-12-11-20(29)14-24(21)33-25(34-26)18-4-3-13-30-16-18/h1-14,16H,15H2,(H,31,35)(H,32,33,34)
InChIKeyPBTUFRIJRZWJPP-UHFFFAOYSA-N
XLogP6.67
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.39
LogP ≤ 56.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(6-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]-N-propylbenzamide
CID 71180520
N-[2-(4-chlorophenyl)ethyl]-2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide
CID 135127846
2-[(6-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]-N-phenylbenzamide
CID 71181011
6-chloro-N-[2-[1-[(3-chlorophenyl)methylamino]ethenyl]phenyl]-2-pyridin-3-ylquinazolin-4-amine
CID 122494287
2-[(6-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]-N-cyclopropylbenzamide
CID 71181047
6-chloro-N-[(4-chlorophenyl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 50798226
2-[(7-chloro-2-pyridazin-4-ylquinazolin-4-yl)amino]benzamide
CID 71180723
[4-(2-carbamoylanilino)-2-pyridin-3-ylquinazolin-6-yl] N-benzylcarbamate
CID 67298380
2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-N-prop-2-ynylbenzamide
CID 89347943
2-[(6-hydroxy-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide
CID 67297950
N-(3,5-dichlorophenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 1387933
4-(3-chloro-4-fluoroanilino)-N-methyl-2-pyridin-3-ylquinazoline-7-carboxamide
CID 71180244

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-[(7-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-[(7-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide (CID 71181264) is N-[(4-chlorophenyl)methyl]-2-[(7-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-[(7-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-[(7-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide is O=C(NCc1ccc(Cl)cc1)c1ccccc1Nc1nc(-c2cccnc2)nc2cc(Cl)ccc12.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-[(7-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide?
The InChIKey is PBTUFRIJRZWJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19Cl2N5O/c28-19-9-7-17(8-10-19)15-31-27(35)22-5-1-2-6-23(22)32-26-21-12-11-20(29)14-24(21)33-25(34-26)18-4-3-13-30-16-18/h1-14,16H,15H2,(H,31,35)(H,32,33,34).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-[(7-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide?
N-[(4-chlorophenyl)methyl]-2-[(7-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide has a molecular weight of 500.39 g/mol, XLogP of 6.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-[(7-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide is sourced from PubChem (CID 71181264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).