2-[(6-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]-N-phenylbenzamide

C26H18ClN5O — CID 71181011

IUPAC2-[(6-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1ccccc1Nc1nc(-c2cccnc2)nc2ccc(Cl)cc12
InChIInChI=1S/C26H18ClN5O/c27-18-12-13-23-21(15-18)25(32-24(30-23)17-7-6-14-28-16-17)31-22-11-5-4-10-20(22)26(33)29-19-8-2-1-3-9-19/h1-16H,(H,29,33)(H,30,31,32)
InChIKeyFFTCENRXNHNEJP-UHFFFAOYSA-N
MW451.92 g/mol
LogP6.34
Rot. Bonds5

About 2-[(6-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]-N-phenylbenzamide

2-[(6-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]-N-phenylbenzamide (PubChem CID 71181011) has the molecular formula C26H18ClN5O and a molecular weight of 451.92 g/mol. Its IUPAC name is 2-[(6-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]-N-phenylbenzamide.

Molecular Properties

Compound Name2-[(6-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]-N-phenylbenzamide
PubChem CID71181011
Molecular FormulaC26H18ClN5O
Molecular Weight451.92 g/mol
Exact Mass451.12
IUPAC Name2-[(6-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1ccccc1Nc1nc(-c2cccnc2)nc2ccc(Cl)cc12
InChIInChI=1S/C26H18ClN5O/c27-18-12-13-23-21(15-18)25(32-24(30-23)17-7-6-14-28-16-17)31-22-11-5-4-10-20(22)26(33)29-19-8-2-1-3-9-19/h1-16H,(H,29,33)(H,30,31,32)
InChIKeyFFTCENRXNHNEJP-UHFFFAOYSA-N
XLogP6.34
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.92
LogP ≤ 56.34
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-cyclopropylbenzamide
CID 71181047
2-[(6-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]-N-propylbenzamide
CID 71180520
N-[(4-chlorophenyl)methyl]-2-[(7-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide
CID 71181264
6-chloro-N-[2-[1-[(3-chlorophenyl)methylamino]ethenyl]phenyl]-2-pyridin-3-ylquinazolin-4-amine
CID 122494287
2-[(6-hydroxy-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide
CID 67297950
N-[2-(4-chlorophenyl)ethyl]-2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide
CID 135127846
methyl 2-[(6-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]thiophene-3-carboxylate
CID 71274429
4-(3-chloro-4-fluoroanilino)-2-pyridin-3-ylquinazoline-6-carboxamide
CID 71180061
2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-N-prop-2-ynylbenzamide
CID 89347943
6-chloro-N-naphthalen-2-yl-2-pyridin-3-ylquinoline-4-carboxamide
CID 25179905
6-chloro-N-(2,5-dichloro-4-methylphenyl)-2-pyridin-3-ylquinazolin-4-amine;(2Z,4Z)-hexa-2,4-diene
CID 144500921
N-(3,5-dichlorophenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 1387933

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]-N-phenylbenzamide?
The IUPAC name of 2-[(6-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]-N-phenylbenzamide (CID 71181011) is 2-[(6-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]-N-phenylbenzamide.
What is the SMILES notation for 2-[(6-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]-N-phenylbenzamide?
The canonical SMILES for 2-[(6-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]-N-phenylbenzamide is O=C(Nc1ccccc1)c1ccccc1Nc1nc(-c2cccnc2)nc2ccc(Cl)cc12.
What is the InChIKey of 2-[(6-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]-N-phenylbenzamide?
The InChIKey is FFTCENRXNHNEJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18ClN5O/c27-18-12-13-23-21(15-18)25(32-24(30-23)17-7-6-14-28-16-17)31-22-11-5-4-10-20(22)26(33)29-19-8-2-1-3-9-19/h1-16H,(H,29,33)(H,30,31,32).
What are the key properties of 2-[(6-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]-N-phenylbenzamide?
2-[(6-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]-N-phenylbenzamide has a molecular weight of 451.92 g/mol, XLogP of 6.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]-N-phenylbenzamide is sourced from PubChem (CID 71181011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).