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

C17H15N3O3 — CID 68724550

IUPAC3-[(3-methoxyphenyl)methyl]-4-oxoquinazoline-2-carboxamide
SMILESCOc1cccc(Cn2c(C(N)=O)nc3ccccc3c2=O)c1
InChIInChI=1S/C17H15N3O3/c1-23-12-6-4-5-11(9-12)10-20-16(15(18)21)19-14-8-3-2-7-13(14)17(20)22/h2-9H,10H2,1H3,(H2,18,21)
InChIKeyZVVBNNYYXVQUFW-UHFFFAOYSA-N
MW309.33 g/mol
LogP1.55
Rot. Bonds4

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

3-[(3-methoxyphenyl)methyl]-4-oxoquinazoline-2-carboxamide (PubChem CID 68724550) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is 3-[(3-methoxyphenyl)methyl]-4-oxoquinazoline-2-carboxamide.

Molecular Properties

Compound Name3-[(3-methoxyphenyl)methyl]-4-oxoquinazoline-2-carboxamide
PubChem CID68724550
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC Name3-[(3-methoxyphenyl)methyl]-4-oxoquinazoline-2-carboxamide
SMILESCOc1cccc(Cn2c(C(N)=O)nc3ccccc3c2=O)c1
InChIInChI=1S/C17H15N3O3/c1-23-12-6-4-5-11(9-12)10-20-16(15(18)21)19-14-8-3-2-7-13(14)17(20)22/h2-9H,10H2,1H3,(H2,18,21)
InChIKeyZVVBNNYYXVQUFW-UHFFFAOYSA-N
XLogP1.55
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-fluorophenyl)methylsulfanyl]-3-[(3-methoxyphenyl)methyl]quinazolin-4-one
CID 51365392
ethyl 3-benzyl-4-oxoquinazoline-2-carboxylate
CID 53277831
3-fluoro-N-[(3-methoxyphenyl)methyl]-4-oxoquinazoline-2-carboxamide
CID 141129820
1-(2-methoxyphenyl)-3-[3-[(3-methoxyphenyl)methyl]-2-oxoquinazolin-4-yl]urea
CID 18585023
3-benzyl-6-ethyl-4-oxothieno[2,3-d]pyrimidine-2-carboxamide
CID 6421611
6-fluoro-3-[(3-methoxyphenyl)methyl]-5-[[5-(methylsulfonylmethyl)-1,4-dioxan-2-yl]methoxy]-4-oxoquinazoline-2-carboxamide
CID 140559884
3-benzyl-2-[(3-methoxyphenyl)methylsulfanyl]benzo[g]quinazolin-4-one
CID 155522820
5-amino-2-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-c]quinazolin-3-one
CID 59299636
4-benzyl-N-[(3-methoxyphenyl)methyl]-3-oxopyrido[2,3-b]pyrazine-2-carboxamide
CID 134798321
4-[[2-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]methyl]-N-propylbenzamide
CID 46351085
3-[(3-methoxyphenyl)methyl]-1-methylquinazoline-2,4-dione
CID 91254141
6-[(3-methoxyphenyl)methyl]indeno[1,2-c]isoquinoline-5,11-dione
CID 2826365

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxyphenyl)methyl]-4-oxoquinazoline-2-carboxamide?
The IUPAC name of 3-[(3-methoxyphenyl)methyl]-4-oxoquinazoline-2-carboxamide (CID 68724550) is 3-[(3-methoxyphenyl)methyl]-4-oxoquinazoline-2-carboxamide.
What is the SMILES notation for 3-[(3-methoxyphenyl)methyl]-4-oxoquinazoline-2-carboxamide?
The canonical SMILES for 3-[(3-methoxyphenyl)methyl]-4-oxoquinazoline-2-carboxamide is COc1cccc(Cn2c(C(N)=O)nc3ccccc3c2=O)c1.
What is the InChIKey of 3-[(3-methoxyphenyl)methyl]-4-oxoquinazoline-2-carboxamide?
The InChIKey is ZVVBNNYYXVQUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-23-12-6-4-5-11(9-12)10-20-16(15(18)21)19-14-8-3-2-7-13(14)17(20)22/h2-9H,10H2,1H3,(H2,18,21).
What are the key properties of 3-[(3-methoxyphenyl)methyl]-4-oxoquinazoline-2-carboxamide?
3-[(3-methoxyphenyl)methyl]-4-oxoquinazoline-2-carboxamide has a molecular weight of 309.33 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxyphenyl)methyl]-4-oxoquinazoline-2-carboxamide is sourced from PubChem (CID 68724550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).