4-(3-nitrophenyl)-4,6,7,8-tetrahydro-3H-quinolin-5-one

C15H14N2O3 — CID 54223975

IUPAC4-(3-nitrophenyl)-4,6,7,8-tetrahydro-3H-quinolin-5-one
SMILESO=C1CCCC2=C1C(c1cccc([N+](=O)[O-])c1)CC=N2
InChIInChI=1S/C15H14N2O3/c18-14-6-2-5-13-15(14)12(7-8-16-13)10-3-1-4-11(9-10)17(19)20/h1,3-4,8-9,12H,2,5-7H2
InChIKeyQEOMTRVUWLKOMZ-UHFFFAOYSA-N
MW270.29 g/mol
LogP3.16
Rot. Bonds2

About 4-(3-nitrophenyl)-4,6,7,8-tetrahydro-3H-quinolin-5-one

4-(3-nitrophenyl)-4,6,7,8-tetrahydro-3H-quinolin-5-one (PubChem CID 54223975) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 4-(3-nitrophenyl)-4,6,7,8-tetrahydro-3H-quinolin-5-one.

Molecular Properties

Compound Name4-(3-nitrophenyl)-4,6,7,8-tetrahydro-3H-quinolin-5-one
PubChem CID54223975
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name4-(3-nitrophenyl)-4,6,7,8-tetrahydro-3H-quinolin-5-one
SMILESO=C1CCCC2=C1C(c1cccc([N+](=O)[O-])c1)CC=N2
InChIInChI=1S/C15H14N2O3/c18-14-6-2-5-13-15(14)12(7-8-16-13)10-3-1-4-11(9-10)17(19)20/h1,3-4,8-9,12H,2,5-7H2
InChIKeyQEOMTRVUWLKOMZ-UHFFFAOYSA-N
XLogP3.16
TPSA72.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 53.16
H-Bond Donors ≤ 50
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

(4R)-1-(4-fluorophenyl)-4-(3-nitrophenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 1267162
(6S)-6-(3-nitrophenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
CID 713102
5-(3-nitrophenyl)-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-2,4,6-trione
CID 21237263
4-(3-nitrophenyl)-1,3-diphenyl-4,6,7,8-tetrahydroquinazoline-2,5-dione
CID 21237255
4-(3-nitrophenyl)-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one
CID 3527771
9-(3-nitrophenyl)-2-phenyl-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
CID 135600758
5-(3-nitrophenyl)-2-sulfanylidene-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione
CID 51045352
3-(3-nitrophenyl)-(1,2-15N2)3H-diazirine
CID 164713943
(3-nitrophenyl)cycloheptane
CID 142001294
2,6-bis(3-nitrophenyl)thian-4-one
CID 10089760
11-amino-12-(3-nitrophenyl)-2,3,4,7,8,9,10,12-octahydrochromeno[2,3-b]quinolin-1-one
CID 102421049
2-(3,4-dimethylphenyl)-9-(3-nitrophenyl)-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
CID 135593077

Frequently Asked Questions

What is the IUPAC name of 4-(3-nitrophenyl)-4,6,7,8-tetrahydro-3H-quinolin-5-one?
The IUPAC name of 4-(3-nitrophenyl)-4,6,7,8-tetrahydro-3H-quinolin-5-one (CID 54223975) is 4-(3-nitrophenyl)-4,6,7,8-tetrahydro-3H-quinolin-5-one.
What is the SMILES notation for 4-(3-nitrophenyl)-4,6,7,8-tetrahydro-3H-quinolin-5-one?
The canonical SMILES for 4-(3-nitrophenyl)-4,6,7,8-tetrahydro-3H-quinolin-5-one is O=C1CCCC2=C1C(c1cccc([N+](=O)[O-])c1)CC=N2.
What is the InChIKey of 4-(3-nitrophenyl)-4,6,7,8-tetrahydro-3H-quinolin-5-one?
The InChIKey is QEOMTRVUWLKOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c18-14-6-2-5-13-15(14)12(7-8-16-13)10-3-1-4-11(9-10)17(19)20/h1,3-4,8-9,12H,2,5-7H2.
What are the key properties of 4-(3-nitrophenyl)-4,6,7,8-tetrahydro-3H-quinolin-5-one?
4-(3-nitrophenyl)-4,6,7,8-tetrahydro-3H-quinolin-5-one has a molecular weight of 270.29 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-nitrophenyl)-4,6,7,8-tetrahydro-3H-quinolin-5-one is sourced from PubChem (CID 54223975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).