7-nitro-2-propyl-3H-quinazolin-4-one

C11H11N3O3 — CID 136743498

IUPAC7-nitro-2-propyl-3H-quinazolin-4-one
SMILESCCCc1nc2cc([N+](=O)[O-])ccc2c(=O)[nH]1
InChIInChI=1S/C11H11N3O3/c1-2-3-10-12-9-6-7(14(16)17)4-5-8(9)11(15)13-10/h4-6H,2-3H2,1H3,(H,12,13,15)
InChIKeyBMPSEUUPJZWWED-UHFFFAOYSA-N
MW233.23 g/mol
LogP1.78
Rot. Bonds3

About 7-nitro-2-propyl-3H-quinazolin-4-one

7-nitro-2-propyl-3H-quinazolin-4-one (PubChem CID 136743498) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is 7-nitro-2-propyl-3H-quinazolin-4-one.

Molecular Properties

Compound Name7-nitro-2-propyl-3H-quinazolin-4-one
PubChem CID136743498
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Name7-nitro-2-propyl-3H-quinazolin-4-one
SMILESCCCc1nc2cc([N+](=O)[O-])ccc2c(=O)[nH]1
InChIInChI=1S/C11H11N3O3/c1-2-3-10-12-9-6-7(14(16)17)4-5-8(9)11(15)13-10/h4-6H,2-3H2,1H3,(H,12,13,15)
InChIKeyBMPSEUUPJZWWED-UHFFFAOYSA-N
XLogP1.78
TPSA88.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 51.78
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

2-(chloromethyl)-6-nitro-3H-quinazolin-4-one
CID 135932529
4-chloro-7-nitro-2-propylquinazoline
CID 106584339
6-nitro-2-undecyl-1H-benzimidazole
CID 163965028
2-[(Z)-heptadec-8-enyl]-6-nitro-1H-benzimidazole
CID 42604377
4-[(6-nitro-4-oxo-3H-quinazolin-2-yl)methyl]benzonitrile
CID 135738534
2-[[ethyl-[(4-nitrophenyl)methyl]amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135808598
5-nitro-2-propyl-1H-indole
CID 12026883
2-(2-methylprop-1-enyl)-6-nitro-3H-quinazolin-4-one
CID 135932530
N-ethyl-2-methoxy-5-nitro-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 137301747
4-nitro-2-propylaniline
CID 21492038
6-nitro-3-phenyl-2-propylquinazolin-4-one
CID 154639059
4-ethoxy-2-methylsulfanyl-7-nitroquinazoline
CID 139217051

Frequently Asked Questions

What is the IUPAC name of 7-nitro-2-propyl-3H-quinazolin-4-one?
The IUPAC name of 7-nitro-2-propyl-3H-quinazolin-4-one (CID 136743498) is 7-nitro-2-propyl-3H-quinazolin-4-one.
What is the SMILES notation for 7-nitro-2-propyl-3H-quinazolin-4-one?
The canonical SMILES for 7-nitro-2-propyl-3H-quinazolin-4-one is CCCc1nc2cc([N+](=O)[O-])ccc2c(=O)[nH]1.
What is the InChIKey of 7-nitro-2-propyl-3H-quinazolin-4-one?
The InChIKey is BMPSEUUPJZWWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c1-2-3-10-12-9-6-7(14(16)17)4-5-8(9)11(15)13-10/h4-6H,2-3H2,1H3,(H,12,13,15).
What are the key properties of 7-nitro-2-propyl-3H-quinazolin-4-one?
7-nitro-2-propyl-3H-quinazolin-4-one has a molecular weight of 233.23 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-nitro-2-propyl-3H-quinazolin-4-one is sourced from PubChem (CID 136743498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).