4-oxo-N-(4-phenylmethoxyphenyl)-3-(pyridin-2-ylmethyl)quinazoline-7-carboxamide

C28H22N4O3 — CID 139779480

IUPAC4-oxo-N-(4-phenylmethoxyphenyl)-3-(pyridin-2-ylmethyl)quinazoline-7-carboxamide
SMILESO=C(Nc1ccc(OCc2ccccc2)cc1)c1ccc2c(=O)n(Cc3ccccn3)cnc2c1
InChIInChI=1S/C28H22N4O3/c33-27(31-22-10-12-24(13-11-22)35-18-20-6-2-1-3-7-20)21-9-14-25-26(16-21)30-19-32(28(25)34)17-23-8-4-5-15-29-23/h1-16,19H,17-18H2,(H,31,33)
InChIKeyQJFTXEOACAFIHR-UHFFFAOYSA-N
MW462.51 g/mol
LogP4.67
Rot. Bonds7

About 4-oxo-N-(4-phenylmethoxyphenyl)-3-(pyridin-2-ylmethyl)quinazoline-7-carboxamide

4-oxo-N-(4-phenylmethoxyphenyl)-3-(pyridin-2-ylmethyl)quinazoline-7-carboxamide (PubChem CID 139779480) has the molecular formula C28H22N4O3 and a molecular weight of 462.51 g/mol. Its IUPAC name is 4-oxo-N-(4-phenylmethoxyphenyl)-3-(pyridin-2-ylmethyl)quinazoline-7-carboxamide.

Molecular Properties

Compound Name4-oxo-N-(4-phenylmethoxyphenyl)-3-(pyridin-2-ylmethyl)quinazoline-7-carboxamide
PubChem CID139779480
Molecular FormulaC28H22N4O3
Molecular Weight462.51 g/mol
Exact Mass462.17
IUPAC Name4-oxo-N-(4-phenylmethoxyphenyl)-3-(pyridin-2-ylmethyl)quinazoline-7-carboxamide
SMILESO=C(Nc1ccc(OCc2ccccc2)cc1)c1ccc2c(=O)n(Cc3ccccn3)cnc2c1
InChIInChI=1S/C28H22N4O3/c33-27(31-22-10-12-24(13-11-22)35-18-20-6-2-1-3-7-20)21-9-14-25-26(16-21)30-19-32(28(25)34)17-23-8-4-5-15-29-23/h1-16,19H,17-18H2,(H,31,33)
InChIKeyQJFTXEOACAFIHR-UHFFFAOYSA-N
XLogP4.67
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.51
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(4-bromophenyl)methyl]-4-oxo-N-(4-phenylmethoxyphenyl)quinazoline-7-carboxamide
CID 139779531
N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-oxo-3-(pyridin-2-ylmethyl)quinazoline-7-carboxamide
CID 172878812
N-(4-phenylmethoxyphenyl)-1,3-benzoxazole-5-carboxamide
CID 110388232
N-hydroxy-4-oxo-3-[(3-phenylmethoxyphenyl)methyl]quinazoline-6-carboxamide
CID 118901622
3-phenylmethoxy-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide
CID 33498503
N-(4-phenylmethoxyphenyl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 1257102
4-[(2-methylimidazol-1-yl)methyl]-N-(4-phenylmethoxyphenyl)benzamide
CID 43922241
benzyl N-[3-[(4-chlorophenyl)methyl]-4-oxoquinazolin-7-yl]carbamate
CID 25157579
3-iodo-N-(4-phenylmethoxyphenyl)benzamide
CID 3409101
methyl 2-[4-[(3-benzylimidazo[4,5-b]pyridine-6-carbonyl)amino]phenoxy]acetate
CID 175641787
3,5-dimethoxy-4-phenylmethoxy-N-(4-phenylmethoxyphenyl)benzamide
CID 139779676
N-(4-phenylmethoxyphenyl)-1,3-benzodioxole-5-carboxamide
CID 777218

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-(4-phenylmethoxyphenyl)-3-(pyridin-2-ylmethyl)quinazoline-7-carboxamide?
The IUPAC name of 4-oxo-N-(4-phenylmethoxyphenyl)-3-(pyridin-2-ylmethyl)quinazoline-7-carboxamide (CID 139779480) is 4-oxo-N-(4-phenylmethoxyphenyl)-3-(pyridin-2-ylmethyl)quinazoline-7-carboxamide.
What is the SMILES notation for 4-oxo-N-(4-phenylmethoxyphenyl)-3-(pyridin-2-ylmethyl)quinazoline-7-carboxamide?
The canonical SMILES for 4-oxo-N-(4-phenylmethoxyphenyl)-3-(pyridin-2-ylmethyl)quinazoline-7-carboxamide is O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccc2c(=O)n(Cc3ccccn3)cnc2c1.
What is the InChIKey of 4-oxo-N-(4-phenylmethoxyphenyl)-3-(pyridin-2-ylmethyl)quinazoline-7-carboxamide?
The InChIKey is QJFTXEOACAFIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N4O3/c33-27(31-22-10-12-24(13-11-22)35-18-20-6-2-1-3-7-20)21-9-14-25-26(16-21)30-19-32(28(25)34)17-23-8-4-5-15-29-23/h1-16,19H,17-18H2,(H,31,33).
What are the key properties of 4-oxo-N-(4-phenylmethoxyphenyl)-3-(pyridin-2-ylmethyl)quinazoline-7-carboxamide?
4-oxo-N-(4-phenylmethoxyphenyl)-3-(pyridin-2-ylmethyl)quinazoline-7-carboxamide has a molecular weight of 462.51 g/mol, XLogP of 4.67, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-(4-phenylmethoxyphenyl)-3-(pyridin-2-ylmethyl)quinazoline-7-carboxamide is sourced from PubChem (CID 139779480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).