N-(4-chlorophenyl)-4-(4-methoxyphenyl)quinazoline-2-carboxamide

C22H16ClN3O2 — CID 14528232

IUPACN-(4-chlorophenyl)-4-(4-methoxyphenyl)quinazoline-2-carboxamide
SMILESCOc1ccc(-c2nc(C(=O)Nc3ccc(Cl)cc3)nc3ccccc23)cc1
InChIInChI=1S/C22H16ClN3O2/c1-28-17-12-6-14(7-13-17)20-18-4-2-3-5-19(18)25-21(26-20)22(27)24-16-10-8-15(23)9-11-16/h2-13H,1H3,(H,24,27)
InChIKeyZOPPJPBXVKQGIU-UHFFFAOYSA-N
MW389.84 g/mol
LogP5.21
Rot. Bonds4

About N-(4-chlorophenyl)-4-(4-methoxyphenyl)quinazoline-2-carboxamide

N-(4-chlorophenyl)-4-(4-methoxyphenyl)quinazoline-2-carboxamide (PubChem CID 14528232) has the molecular formula C22H16ClN3O2 and a molecular weight of 389.84 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-(4-methoxyphenyl)quinazoline-2-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-(4-methoxyphenyl)quinazoline-2-carboxamide
PubChem CID14528232
Molecular FormulaC22H16ClN3O2
Molecular Weight389.84 g/mol
Exact Mass389.09
IUPAC NameN-(4-chlorophenyl)-4-(4-methoxyphenyl)quinazoline-2-carboxamide
SMILESCOc1ccc(-c2nc(C(=O)Nc3ccc(Cl)cc3)nc3ccccc23)cc1
InChIInChI=1S/C22H16ClN3O2/c1-28-17-12-6-14(7-13-17)20-18-4-2-3-5-19(18)25-21(26-20)22(27)24-16-10-8-15(23)9-11-16/h2-13H,1H3,(H,24,27)
InChIKeyZOPPJPBXVKQGIU-UHFFFAOYSA-N
XLogP5.21
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.84
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
CID 50745529
2-(2,4-dichlorophenyl)-N-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide
CID 2259444
4-(4-chloroanilino)-N-(4-fluorophenyl)quinazoline-2-carboxamide
CID 20966030
N-(4-chlorophenyl)-7-methoxy-2-phenylquinoline-4-carboxamide
CID 164619676
N-(4-chlorophenyl)-2-(2,4-dimethoxyphenyl)quinoline-4-carboxamide
CID 4150006
benzamide;1-chloro-4-methoxybenzene;N-(4-methoxyphenyl)benzamide
CID 161282145
N-(4-methoxyphenyl)-2-phenylquinoline-4-carboxamide
CID 1035332
N-(4-butylphenyl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide
CID 4608973
2-(4-methoxyphenyl)-3-methyl-N-naphthalen-2-ylquinoline-4-carboxamide
CID 4115326
2-(4-chlorophenyl)-N-(4-ethoxyphenyl)quinoline-4-carboxamide
CID 3128623
6-chloro-N-(4-methoxyphenyl)-2-methyl-4-phenylquinoline-3-carboxamide
CID 8966053
N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 821516

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-(4-methoxyphenyl)quinazoline-2-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-4-(4-methoxyphenyl)quinazoline-2-carboxamide (CID 14528232) is N-(4-chlorophenyl)-4-(4-methoxyphenyl)quinazoline-2-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-(4-methoxyphenyl)quinazoline-2-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-4-(4-methoxyphenyl)quinazoline-2-carboxamide is COc1ccc(-c2nc(C(=O)Nc3ccc(Cl)cc3)nc3ccccc23)cc1.
What is the InChIKey of N-(4-chlorophenyl)-4-(4-methoxyphenyl)quinazoline-2-carboxamide?
The InChIKey is ZOPPJPBXVKQGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN3O2/c1-28-17-12-6-14(7-13-17)20-18-4-2-3-5-19(18)25-21(26-20)22(27)24-16-10-8-15(23)9-11-16/h2-13H,1H3,(H,24,27).
What are the key properties of N-(4-chlorophenyl)-4-(4-methoxyphenyl)quinazoline-2-carboxamide?
N-(4-chlorophenyl)-4-(4-methoxyphenyl)quinazoline-2-carboxamide has a molecular weight of 389.84 g/mol, XLogP of 5.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-(4-methoxyphenyl)quinazoline-2-carboxamide is sourced from PubChem (CID 14528232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).