7-(cyclopentylamino)-6-nitro-3H-quinazolin-4-one

C13H14N4O3 — CID 135932393

IUPAC7-(cyclopentylamino)-6-nitro-3H-quinazolin-4-one
SMILESO=c1[nH]cnc2cc(NC3CCCC3)c([N+](=O)[O-])cc12
InChIInChI=1S/C13H14N4O3/c18-13-9-5-12(17(19)20)11(6-10(9)14-7-15-13)16-8-3-1-2-4-8/h5-8,16H,1-4H2,(H,14,15,18)
InChIKeyCLGCAGHPXJCGLL-UHFFFAOYSA-N
MW274.28 g/mol
LogP2.19
Rot. Bonds3

About 7-(cyclopentylamino)-6-nitro-3H-quinazolin-4-one

7-(cyclopentylamino)-6-nitro-3H-quinazolin-4-one (PubChem CID 135932393) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is 7-(cyclopentylamino)-6-nitro-3H-quinazolin-4-one.

Molecular Properties

Compound Name7-(cyclopentylamino)-6-nitro-3H-quinazolin-4-one
PubChem CID135932393
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC Name7-(cyclopentylamino)-6-nitro-3H-quinazolin-4-one
SMILESO=c1[nH]cnc2cc(NC3CCCC3)c([N+](=O)[O-])cc12
InChIInChI=1S/C13H14N4O3/c18-13-9-5-12(17(19)20)11(6-10(9)14-7-15-13)16-8-3-1-2-4-8/h5-8,16H,1-4H2,(H,14,15,18)
InChIKeyCLGCAGHPXJCGLL-UHFFFAOYSA-N
XLogP2.19
TPSA100.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

7-[(3-methoxycyclohexyl)amino]-6-nitro-3H-quinazolin-4-one
CID 137268737
6-nitro-7-[(1-propan-2-ylpiperidin-4-yl)amino]-3H-quinazolin-4-one
CID 135562773
6-nitro-7-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]amino]-3H-quinazolin-4-one
CID 137271087
7-[3-(2-hydroxycyclohexyl)propylamino]-6-nitro-3H-quinazolin-4-one
CID 137265030
N-(6-nitro-4-oxo-3H-quinazolin-7-yl)acetamide
CID 135618491
6-nitro-7-[[(2R)-oxolan-2-yl]methylamino]-3H-quinazolin-4-one
CID 135932392
7-[(2-amino-2-cyclopropylethyl)amino]-6-nitro-3H-quinazolin-4-one
CID 136993660
7-[(1-aminocyclobutyl)methylamino]-6-nitro-3H-quinazolin-4-one
CID 136869174
N-(cyclopropylmethyl)-2-[(6-nitro-4-oxo-3H-quinazolin-7-yl)amino]acetamide
CID 137262167
6-nitro-7-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]-3H-quinazolin-4-one
CID 137289225
7-[(1-methylsulfanylcyclobutyl)methylamino]-6-nitro-3H-quinazolin-4-one
CID 137262903
7-[(1-methoxycyclobutyl)methylamino]-6-nitro-3H-quinazolin-4-one
CID 137273785

Frequently Asked Questions

What is the IUPAC name of 7-(cyclopentylamino)-6-nitro-3H-quinazolin-4-one?
The IUPAC name of 7-(cyclopentylamino)-6-nitro-3H-quinazolin-4-one (CID 135932393) is 7-(cyclopentylamino)-6-nitro-3H-quinazolin-4-one.
What is the SMILES notation for 7-(cyclopentylamino)-6-nitro-3H-quinazolin-4-one?
The canonical SMILES for 7-(cyclopentylamino)-6-nitro-3H-quinazolin-4-one is O=c1[nH]cnc2cc(NC3CCCC3)c([N+](=O)[O-])cc12.
What is the InChIKey of 7-(cyclopentylamino)-6-nitro-3H-quinazolin-4-one?
The InChIKey is CLGCAGHPXJCGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c18-13-9-5-12(17(19)20)11(6-10(9)14-7-15-13)16-8-3-1-2-4-8/h5-8,16H,1-4H2,(H,14,15,18).
What are the key properties of 7-(cyclopentylamino)-6-nitro-3H-quinazolin-4-one?
7-(cyclopentylamino)-6-nitro-3H-quinazolin-4-one has a molecular weight of 274.28 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclopentylamino)-6-nitro-3H-quinazolin-4-one is sourced from PubChem (CID 135932393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).