4-(6-nitro-2,3-dihydroindole-1-carbonyl)-1H-quinolin-2-one

C18H13N3O4 — CID 71900043

IUPAC4-(6-nitro-2,3-dihydroindole-1-carbonyl)-1H-quinolin-2-one
SMILESO=C(c1cc(=O)[nH]c2ccccc12)N1CCc2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C18H13N3O4/c22-17-10-14(13-3-1-2-4-15(13)19-17)18(23)20-8-7-11-5-6-12(21(24)25)9-16(11)20/h1-6,9-10H,7-8H2,(H,19,22)
InChIKeyQWHAMHATMDWPNF-UHFFFAOYSA-N
MW335.32 g/mol
LogP2.64
Rot. Bonds2

About 4-(6-nitro-2,3-dihydroindole-1-carbonyl)-1H-quinolin-2-one

4-(6-nitro-2,3-dihydroindole-1-carbonyl)-1H-quinolin-2-one (PubChem CID 71900043) has the molecular formula C18H13N3O4 and a molecular weight of 335.32 g/mol. Its IUPAC name is 4-(6-nitro-2,3-dihydroindole-1-carbonyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name4-(6-nitro-2,3-dihydroindole-1-carbonyl)-1H-quinolin-2-one
PubChem CID71900043
Molecular FormulaC18H13N3O4
Molecular Weight335.32 g/mol
Exact Mass335.09
IUPAC Name4-(6-nitro-2,3-dihydroindole-1-carbonyl)-1H-quinolin-2-one
SMILESO=C(c1cc(=O)[nH]c2ccccc12)N1CCc2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C18H13N3O4/c22-17-10-14(13-3-1-2-4-15(13)19-17)18(23)20-8-7-11-5-6-12(21(24)25)9-16(11)20/h1-6,9-10H,7-8H2,(H,19,22)
InChIKeyQWHAMHATMDWPNF-UHFFFAOYSA-N
XLogP2.64
TPSA96.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.32
LogP ≤ 52.64
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'}

Analyze 4-(6-nitro-2,3-dihydroindole-1-carbonyl)-1H-quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dimethyl-1-(2-oxo-1H-quinoline-4-carbonyl)-2,3-dihydroindole-5-sulfonamide
CID 26769678
2-(1H-indol-3-yl)-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone
CID 47016880
(2,3-dimethyl-1H-indol-5-yl)-(6-nitro-2,3-dihydroindol-1-yl)methanone
CID 37162521
(2-methylphenyl)-(7-nitro-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 110291907
furan-2-yl-(6-nitro-2,3-dihydroindol-1-yl)methanone
CID 110287360
3-(6-nitro-2,3-dihydroindole-1-carbonyl)benzonitrile
CID 16603335
2,3-dihydroindol-1-yl-(5-nitro-2-piperidin-1-ylphenyl)methanone
CID 4876796
(7-nitro-3,4-dihydro-2H-quinolin-1-yl)-phenylmethanone
CID 110291906
[2-(dimethylamino)-3-pyridinyl]-(6-nitro-2,3-dihydroindol-1-yl)methanone
CID 110306395
2-(5-nitro-2,3-dihydroindole-1-carbonyl)benzoate
CID 7155300
1-[2,4-dimethyl-5-(6-nitro-2,3-dihydroindole-1-carbonyl)-1H-pyrrol-3-yl]ethanone
CID 37163175
(3,4-dimethylphenyl)-(6-nitro-2,3-dihydroindol-1-yl)methanone
CID 51711520

Frequently Asked Questions

What is the IUPAC name of 4-(6-nitro-2,3-dihydroindole-1-carbonyl)-1H-quinolin-2-one?
The IUPAC name of 4-(6-nitro-2,3-dihydroindole-1-carbonyl)-1H-quinolin-2-one (CID 71900043) is 4-(6-nitro-2,3-dihydroindole-1-carbonyl)-1H-quinolin-2-one.
What is the SMILES notation for 4-(6-nitro-2,3-dihydroindole-1-carbonyl)-1H-quinolin-2-one?
The canonical SMILES for 4-(6-nitro-2,3-dihydroindole-1-carbonyl)-1H-quinolin-2-one is O=C(c1cc(=O)[nH]c2ccccc12)N1CCc2ccc([N+](=O)[O-])cc21.
What is the InChIKey of 4-(6-nitro-2,3-dihydroindole-1-carbonyl)-1H-quinolin-2-one?
The InChIKey is QWHAMHATMDWPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O4/c22-17-10-14(13-3-1-2-4-15(13)19-17)18(23)20-8-7-11-5-6-12(21(24)25)9-16(11)20/h1-6,9-10H,7-8H2,(H,19,22).
What are the key properties of 4-(6-nitro-2,3-dihydroindole-1-carbonyl)-1H-quinolin-2-one?
4-(6-nitro-2,3-dihydroindole-1-carbonyl)-1H-quinolin-2-one has a molecular weight of 335.32 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-nitro-2,3-dihydroindole-1-carbonyl)-1H-quinolin-2-one is sourced from PubChem (CID 71900043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).