N-[(4-methoxyphenyl)-phenylmethyl]-4-(4-oxoquinazolin-3-yl)benzamide

C29H23N3O3 — CID 24641669

IUPACN-[(4-methoxyphenyl)-phenylmethyl]-4-(4-oxoquinazolin-3-yl)benzamide
SMILESCOc1ccc(C(NC(=O)c2ccc(-n3cnc4ccccc4c3=O)cc2)c2ccccc2)cc1
InChIInChI=1S/C29H23N3O3/c1-35-24-17-13-21(14-18-24)27(20-7-3-2-4-8-20)31-28(33)22-11-15-23(16-12-22)32-19-30-26-10-6-5-9-25(26)29(32)34/h2-19,27H,1H3,(H,31,33)
InChIKeyUHEWKMYEEIMKKH-UHFFFAOYSA-N
MW461.52 g/mol
LogP4.91
Rot. Bonds6

About N-[(4-methoxyphenyl)-phenylmethyl]-4-(4-oxoquinazolin-3-yl)benzamide

N-[(4-methoxyphenyl)-phenylmethyl]-4-(4-oxoquinazolin-3-yl)benzamide (PubChem CID 24641669) has the molecular formula C29H23N3O3 and a molecular weight of 461.52 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)-phenylmethyl]-4-(4-oxoquinazolin-3-yl)benzamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)-phenylmethyl]-4-(4-oxoquinazolin-3-yl)benzamide
PubChem CID24641669
Molecular FormulaC29H23N3O3
Molecular Weight461.52 g/mol
Exact Mass461.17
IUPAC NameN-[(4-methoxyphenyl)-phenylmethyl]-4-(4-oxoquinazolin-3-yl)benzamide
SMILESCOc1ccc(C(NC(=O)c2ccc(-n3cnc4ccccc4c3=O)cc2)c2ccccc2)cc1
InChIInChI=1S/C29H23N3O3/c1-35-24-17-13-21(14-18-24)27(20-7-3-2-4-8-20)31-28(33)22-11-15-23(16-12-22)32-19-30-26-10-6-5-9-25(26)29(32)34/h2-19,27H,1H3,(H,31,33)
InChIKeyUHEWKMYEEIMKKH-UHFFFAOYSA-N
XLogP4.91
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.52
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-methyl-2-[[4-(4-oxoquinazolin-3-yl)benzoyl]amino]butanoate
CID 17464811
N-(6-methylheptan-2-yl)-4-(4-oxoquinazolin-3-yl)benzamide
CID 43019404
4-methoxy-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide
CID 26174053
3-(4-methoxyphenyl)-N-(2-methylpropyl)-4-oxoquinazoline-7-carboxamide
CID 39314202
4-(4-oxoquinazolin-3-yl)-N-(2-phenoxyphenyl)benzamide
CID 39954363
4-(4-oxoquinazolin-3-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide
CID 24512913
N-[(R)-(4-methoxyphenyl)-phenylmethyl]isoquinoline-1-carboxamide
CID 52786837
4-methoxy-N-[phenyl(pyridin-3-yl)methyl]benzamide
CID 20896997
N'-[4-(diethylamino)benzoyl]-4-(4-oxoquinazolin-3-yl)benzohydrazide
CID 24513988
6-methoxy-3-(4-methoxyphenyl)quinazolin-4-one
CID 127038187
N-[2-(diethylamino)ethyl]-4-(4-oxoquinazolin-3-yl)benzamide
CID 29368993
N-[(4-methoxyphenyl)-phenylmethyl]-1-methylpyrazole-4-carboxamide
CID 18166420

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)-phenylmethyl]-4-(4-oxoquinazolin-3-yl)benzamide?
The IUPAC name of N-[(4-methoxyphenyl)-phenylmethyl]-4-(4-oxoquinazolin-3-yl)benzamide (CID 24641669) is N-[(4-methoxyphenyl)-phenylmethyl]-4-(4-oxoquinazolin-3-yl)benzamide.
What is the SMILES notation for N-[(4-methoxyphenyl)-phenylmethyl]-4-(4-oxoquinazolin-3-yl)benzamide?
The canonical SMILES for N-[(4-methoxyphenyl)-phenylmethyl]-4-(4-oxoquinazolin-3-yl)benzamide is COc1ccc(C(NC(=O)c2ccc(-n3cnc4ccccc4c3=O)cc2)c2ccccc2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)-phenylmethyl]-4-(4-oxoquinazolin-3-yl)benzamide?
The InChIKey is UHEWKMYEEIMKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23N3O3/c1-35-24-17-13-21(14-18-24)27(20-7-3-2-4-8-20)31-28(33)22-11-15-23(16-12-22)32-19-30-26-10-6-5-9-25(26)29(32)34/h2-19,27H,1H3,(H,31,33).
What are the key properties of N-[(4-methoxyphenyl)-phenylmethyl]-4-(4-oxoquinazolin-3-yl)benzamide?
N-[(4-methoxyphenyl)-phenylmethyl]-4-(4-oxoquinazolin-3-yl)benzamide has a molecular weight of 461.52 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)-phenylmethyl]-4-(4-oxoquinazolin-3-yl)benzamide is sourced from PubChem (CID 24641669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).