N-[(3-methoxyphenyl)methyl]-1-methyl-4-oxoquinazoline-2-carboxamide

C18H17N3O3 — CID 59652368

IUPACN-[(3-methoxyphenyl)methyl]-1-methyl-4-oxoquinazoline-2-carboxamide
SMILESCOc1cccc(CNC(=O)c2nc(=O)c3ccccc3n2C)c1
InChIInChI=1S/C18H17N3O3/c1-21-15-9-4-3-8-14(15)17(22)20-16(21)18(23)19-11-12-6-5-7-13(10-12)24-2/h3-10H,11H2,1-2H3,(H,19,23)
InChIKeyUXTXUUAKEMNXCV-UHFFFAOYSA-N
MW323.35 g/mol
LogP1.87
Rot. Bonds4

About N-[(3-methoxyphenyl)methyl]-1-methyl-4-oxoquinazoline-2-carboxamide

N-[(3-methoxyphenyl)methyl]-1-methyl-4-oxoquinazoline-2-carboxamide (PubChem CID 59652368) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-1-methyl-4-oxoquinazoline-2-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-1-methyl-4-oxoquinazoline-2-carboxamide
PubChem CID59652368
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC NameN-[(3-methoxyphenyl)methyl]-1-methyl-4-oxoquinazoline-2-carboxamide
SMILESCOc1cccc(CNC(=O)c2nc(=O)c3ccccc3n2C)c1
InChIInChI=1S/C18H17N3O3/c1-21-15-9-4-3-8-14(15)17(22)20-16(21)18(23)19-11-12-6-5-7-13(10-12)24-2/h3-10H,11H2,1-2H3,(H,19,23)
InChIKeyUXTXUUAKEMNXCV-UHFFFAOYSA-N
XLogP1.87
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-methoxyphenyl)methyl]-1-methylindazole-3-carboxamide
CID 71822195
3-fluoro-N-[(3-methoxyphenyl)methyl]-4-oxoquinazoline-2-carboxamide
CID 141129820
N-[(3-methoxyphenyl)methyl]-2-naphthalen-1-ylacetamide
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1-(2-methoxyethyl)-N-[(3-methoxyphenyl)methyl]indole-3-carboxamide
CID 47072758
N-[(3-methoxyphenyl)methyl]-1-methyl-5-nitroimidazole-2-carboxamide
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2-(3-methoxyphenyl)-N-[(1-methylbenzimidazol-5-yl)methyl]acetamide
CID 110785836
3-hydroxy-N-[(3-methoxyphenyl)methyl]naphthalene-2-carboxamide
CID 27231686
6-[(3-methoxyphenyl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 61028665
N-[(3-methoxyphenyl)methyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 35676429
3-N-[(3-methoxyphenyl)methyl]-1-N-[(4-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 10272573
N-[(3-methoxyphenyl)methyl]-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazine-3-carboxamide
CID 50831321
2-iodo-N-[(3-methoxyphenyl)methyl]benzamide
CID 2468432

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-1-methyl-4-oxoquinazoline-2-carboxamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-1-methyl-4-oxoquinazoline-2-carboxamide (CID 59652368) is N-[(3-methoxyphenyl)methyl]-1-methyl-4-oxoquinazoline-2-carboxamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-1-methyl-4-oxoquinazoline-2-carboxamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-1-methyl-4-oxoquinazoline-2-carboxamide is COc1cccc(CNC(=O)c2nc(=O)c3ccccc3n2C)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-1-methyl-4-oxoquinazoline-2-carboxamide?
The InChIKey is UXTXUUAKEMNXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-21-15-9-4-3-8-14(15)17(22)20-16(21)18(23)19-11-12-6-5-7-13(10-12)24-2/h3-10H,11H2,1-2H3,(H,19,23).
What are the key properties of N-[(3-methoxyphenyl)methyl]-1-methyl-4-oxoquinazoline-2-carboxamide?
N-[(3-methoxyphenyl)methyl]-1-methyl-4-oxoquinazoline-2-carboxamide has a molecular weight of 323.35 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-1-methyl-4-oxoquinazoline-2-carboxamide is sourced from PubChem (CID 59652368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).