1-methyl-2-(3-nitrophenyl)-2,3-dihydroquinazolin-4-one

C15H13N3O3 — CID 14920471

IUPAC1-methyl-2-(3-nitrophenyl)-2,3-dihydroquinazolin-4-one
SMILESCN1c2ccccc2C(=O)NC1c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H13N3O3/c1-17-13-8-3-2-7-12(13)15(19)16-14(17)10-5-4-6-11(9-10)18(20)21/h2-9,14H,1H3,(H,16,19)
InChIKeyIWNIBTWOBBGWFP-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.47
Rot. Bonds2

About 1-methyl-2-(3-nitrophenyl)-2,3-dihydroquinazolin-4-one

1-methyl-2-(3-nitrophenyl)-2,3-dihydroquinazolin-4-one (PubChem CID 14920471) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is 1-methyl-2-(3-nitrophenyl)-2,3-dihydroquinazolin-4-one.

Molecular Properties

Compound Name1-methyl-2-(3-nitrophenyl)-2,3-dihydroquinazolin-4-one
PubChem CID14920471
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Name1-methyl-2-(3-nitrophenyl)-2,3-dihydroquinazolin-4-one
SMILESCN1c2ccccc2C(=O)NC1c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H13N3O3/c1-17-13-8-3-2-7-12(13)15(19)16-14(17)10-5-4-6-11(9-10)18(20)21/h2-9,14H,1H3,(H,16,19)
InChIKeyIWNIBTWOBBGWFP-UHFFFAOYSA-N
XLogP2.47
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-hydroxy-2-(3-nitrophenyl)-1,2-dihydroquinazolin-4-one
CID 2872744
(2S)-3-(2-methoxyphenyl)-2-(3-nitrophenyl)-1,2-dihydroquinazolin-4-one
CID 9011931
(2R)-3-cyclopropyl-2-(3-nitrophenyl)-1,2-dihydroquinazolin-4-one
CID 29429467
2-(3-nitrophenyl)-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one
CID 4789027
(2S)-3-(3,4-dimethylphenyl)-2-(3-nitrophenyl)-1,2-dihydroquinazolin-4-one
CID 1104815
3-(4-fluorophenyl)-2-(3-nitrophenyl)-1,2-dihydroquinazolin-4-one
CID 2857755
3-(4-methoxyphenyl)-2-(3-nitrophenyl)-1,2-dihydroquinazolin-4-one
CID 3115665
4-[3-[(2S)-1-methyl-4-oxo-2,3-dihydroquinazolin-2-yl]phenoxy]butanenitrile
CID 95157872
(2R)-3-(4-methoxyphenyl)-2-(3-nitrophenyl)-1,2-dihydroquinazolin-4-one
CID 1249461
3-methyl-2-(3-nitrophenyl)-5-propan-2-ylimidazolidin-4-one
CID 83260322
2-(3-nitrophenyl)-3-(2,2,2-trifluoroethyl)-1,2-dihydroquinazolin-4-one
CID 46613504
(2R)-3-[(4-fluorophenyl)methyl]-2-(3-nitrophenyl)-1,2-dihydroquinazolin-4-one
CID 41064113

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(3-nitrophenyl)-2,3-dihydroquinazolin-4-one?
The IUPAC name of 1-methyl-2-(3-nitrophenyl)-2,3-dihydroquinazolin-4-one (CID 14920471) is 1-methyl-2-(3-nitrophenyl)-2,3-dihydroquinazolin-4-one.
What is the SMILES notation for 1-methyl-2-(3-nitrophenyl)-2,3-dihydroquinazolin-4-one?
The canonical SMILES for 1-methyl-2-(3-nitrophenyl)-2,3-dihydroquinazolin-4-one is CN1c2ccccc2C(=O)NC1c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 1-methyl-2-(3-nitrophenyl)-2,3-dihydroquinazolin-4-one?
The InChIKey is IWNIBTWOBBGWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c1-17-13-8-3-2-7-12(13)15(19)16-14(17)10-5-4-6-11(9-10)18(20)21/h2-9,14H,1H3,(H,16,19).
What are the key properties of 1-methyl-2-(3-nitrophenyl)-2,3-dihydroquinazolin-4-one?
1-methyl-2-(3-nitrophenyl)-2,3-dihydroquinazolin-4-one has a molecular weight of 283.29 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(3-nitrophenyl)-2,3-dihydroquinazolin-4-one is sourced from PubChem (CID 14920471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).