N-(2-benzyl-4-oxoquinazolin-3-yl)-3,4-dimethoxybenzamide

C24H21N3O4 — CID 43816379

IUPACN-(2-benzyl-4-oxoquinazolin-3-yl)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nn2c(Cc3ccccc3)nc3ccccc3c2=O)cc1OC
InChIInChI=1S/C24H21N3O4/c1-30-20-13-12-17(15-21(20)31-2)23(28)26-27-22(14-16-8-4-3-5-9-16)25-19-11-7-6-10-18(19)24(27)29/h3-13,15H,14H2,1-2H3,(H,26,28)
InChIKeyHYBWYSLDLXFVKJ-UHFFFAOYSA-N
MW415.45 g/mol
LogP3.39
Rot. Bonds6

About N-(2-benzyl-4-oxoquinazolin-3-yl)-3,4-dimethoxybenzamide

N-(2-benzyl-4-oxoquinazolin-3-yl)-3,4-dimethoxybenzamide (PubChem CID 43816379) has the molecular formula C24H21N3O4 and a molecular weight of 415.45 g/mol. Its IUPAC name is N-(2-benzyl-4-oxoquinazolin-3-yl)-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-(2-benzyl-4-oxoquinazolin-3-yl)-3,4-dimethoxybenzamide
PubChem CID43816379
Molecular FormulaC24H21N3O4
Molecular Weight415.45 g/mol
Exact Mass415.15
IUPAC NameN-(2-benzyl-4-oxoquinazolin-3-yl)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nn2c(Cc3ccccc3)nc3ccccc3c2=O)cc1OC
InChIInChI=1S/C24H21N3O4/c1-30-20-13-12-17(15-21(20)31-2)23(28)26-27-22(14-16-8-4-3-5-9-16)25-19-11-7-6-10-18(19)24(27)29/h3-13,15H,14H2,1-2H3,(H,26,28)
InChIKeyHYBWYSLDLXFVKJ-UHFFFAOYSA-N
XLogP3.39
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-cyclopropyl-4-oxoquinazolin-3-yl)-3,4-dimethoxybenzamide
CID 3226460
N-(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-3,4-dimethoxybenzamide
CID 4675632
3,4-dimethoxy-N-[2-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]benzamide
CID 16976863
4-methoxy-N-methyl-3-phenylmethoxybenzamide
CID 138553454
N-[2-[(3-fluorophenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]-4-methoxybenzamide
CID 3574138
4-methoxy-N-[4-oxo-2-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanylquinazolin-3-yl]benzamide
CID 2202378
N-[5-(1-benzylbenzimidazol-2-yl)pentyl]-3,4-dimethoxybenzamide
CID 16990908
N-[2-[2-(benzylamino)-2-oxoethyl]-4-oxoquinazolin-3-yl]-2-phenylacetamide
CID 10025480
N-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 807598
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide
CID 3237594
3-ethyl-N'-(3-methoxy-4-phenylmethoxybenzoyl)-4-oxophthalazine-1-carbohydrazide
CID 27563734
3,4-dimethoxy-N-[3-[1-(2-methylpropyl)benzimidazol-2-yl]propyl]benzamide
CID 7080090

Frequently Asked Questions

What is the IUPAC name of N-(2-benzyl-4-oxoquinazolin-3-yl)-3,4-dimethoxybenzamide?
The IUPAC name of N-(2-benzyl-4-oxoquinazolin-3-yl)-3,4-dimethoxybenzamide (CID 43816379) is N-(2-benzyl-4-oxoquinazolin-3-yl)-3,4-dimethoxybenzamide.
What is the SMILES notation for N-(2-benzyl-4-oxoquinazolin-3-yl)-3,4-dimethoxybenzamide?
The canonical SMILES for N-(2-benzyl-4-oxoquinazolin-3-yl)-3,4-dimethoxybenzamide is COc1ccc(C(=O)Nn2c(Cc3ccccc3)nc3ccccc3c2=O)cc1OC.
What is the InChIKey of N-(2-benzyl-4-oxoquinazolin-3-yl)-3,4-dimethoxybenzamide?
The InChIKey is HYBWYSLDLXFVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O4/c1-30-20-13-12-17(15-21(20)31-2)23(28)26-27-22(14-16-8-4-3-5-9-16)25-19-11-7-6-10-18(19)24(27)29/h3-13,15H,14H2,1-2H3,(H,26,28).
What are the key properties of N-(2-benzyl-4-oxoquinazolin-3-yl)-3,4-dimethoxybenzamide?
N-(2-benzyl-4-oxoquinazolin-3-yl)-3,4-dimethoxybenzamide has a molecular weight of 415.45 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzyl-4-oxoquinazolin-3-yl)-3,4-dimethoxybenzamide is sourced from PubChem (CID 43816379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).