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

C17H14FN3O3 — CID 141129820

IUPAC3-fluoro-N-[(3-methoxyphenyl)methyl]-4-oxoquinazoline-2-carboxamide
SMILESCOc1cccc(CNC(=O)c2nc3ccccc3c(=O)n2F)c1
InChIInChI=1S/C17H14FN3O3/c1-24-12-6-4-5-11(9-12)10-19-16(22)15-20-14-8-3-2-7-13(14)17(23)21(15)18/h2-9H,10H2,1H3,(H,19,22)
InChIKeyKFDWDHIRDILMLS-UHFFFAOYSA-N
MW327.32 g/mol
LogP2.07
Rot. Bonds4

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

3-fluoro-N-[(3-methoxyphenyl)methyl]-4-oxoquinazoline-2-carboxamide (PubChem CID 141129820) has the molecular formula C17H14FN3O3 and a molecular weight of 327.32 g/mol. Its IUPAC name is 3-fluoro-N-[(3-methoxyphenyl)methyl]-4-oxoquinazoline-2-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-[(3-methoxyphenyl)methyl]-4-oxoquinazoline-2-carboxamide
PubChem CID141129820
Molecular FormulaC17H14FN3O3
Molecular Weight327.32 g/mol
Exact Mass327.10
IUPAC Name3-fluoro-N-[(3-methoxyphenyl)methyl]-4-oxoquinazoline-2-carboxamide
SMILESCOc1cccc(CNC(=O)c2nc3ccccc3c(=O)n2F)c1
InChIInChI=1S/C17H14FN3O3/c1-24-12-6-4-5-11(9-12)10-19-16(22)15-20-14-8-3-2-7-13(14)17(23)21(15)18/h2-9H,10H2,1H3,(H,19,22)
InChIKeyKFDWDHIRDILMLS-UHFFFAOYSA-N
XLogP2.07
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.32
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-hydroxy-N-[(4-methoxyphenyl)methyl]-4-oxoquinazoline-2-carboxamide
CID 71593748
N-[(3-methoxyphenyl)methyl]-1-methyl-4-oxoquinazoline-2-carboxamide
CID 59652368
3-[(3-methoxyphenyl)methyl]-4-oxoquinazoline-2-carboxamide
CID 68724550
N-[(3-chlorophenyl)methyl]-3-methyl-4-oxoquinazoline-2-carboxamide
CID 39335309
4-benzyl-N-[(3-methoxyphenyl)methyl]-3-oxopyrido[2,3-b]pyrazine-2-carboxamide
CID 134798321
2-cyclopropyl-N-[(3-methoxyphenyl)methyl]quinoline-4-carboxamide
CID 9377696
N-[(3-methoxyphenyl)methyl]-2-naphthalen-1-ylacetamide
CID 2086540
6-[(3-methoxyphenyl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 61028665
2-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide
CID 16538291
3,5-dimethoxy-N-[(3-methoxyphenyl)methyl]-4-phenylmethoxybenzamide
CID 9456400
N-[(3-methoxyphenyl)methyl]-1-methylindazole-3-carboxamide
CID 71822195
4-[[2-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]methyl]-N-propylbenzamide
CID 46351085

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(3-methoxyphenyl)methyl]-4-oxoquinazoline-2-carboxamide?
The IUPAC name of 3-fluoro-N-[(3-methoxyphenyl)methyl]-4-oxoquinazoline-2-carboxamide (CID 141129820) is 3-fluoro-N-[(3-methoxyphenyl)methyl]-4-oxoquinazoline-2-carboxamide.
What is the SMILES notation for 3-fluoro-N-[(3-methoxyphenyl)methyl]-4-oxoquinazoline-2-carboxamide?
The canonical SMILES for 3-fluoro-N-[(3-methoxyphenyl)methyl]-4-oxoquinazoline-2-carboxamide is COc1cccc(CNC(=O)c2nc3ccccc3c(=O)n2F)c1.
What is the InChIKey of 3-fluoro-N-[(3-methoxyphenyl)methyl]-4-oxoquinazoline-2-carboxamide?
The InChIKey is KFDWDHIRDILMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O3/c1-24-12-6-4-5-11(9-12)10-19-16(22)15-20-14-8-3-2-7-13(14)17(23)21(15)18/h2-9H,10H2,1H3,(H,19,22).
What are the key properties of 3-fluoro-N-[(3-methoxyphenyl)methyl]-4-oxoquinazoline-2-carboxamide?
3-fluoro-N-[(3-methoxyphenyl)methyl]-4-oxoquinazoline-2-carboxamide has a molecular weight of 327.32 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(3-methoxyphenyl)methyl]-4-oxoquinazoline-2-carboxamide is sourced from PubChem (CID 141129820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).