7-(4-nitrophenyl)-9,10,11,12-tetrahydro-7H-naphtho[1,2-b]quinolin-8-one

C23H18N2O3 — CID 42642087

IUPAC7-(4-nitrophenyl)-9,10,11,12-tetrahydro-7H-naphtho[1,2-b]quinolin-8-one
SMILESO=C1CCCC2=C1C(c1ccc([N+](=O)[O-])cc1)c1ccc3ccccc3c1N2
InChIInChI=1S/C23H18N2O3/c26-20-7-3-6-19-22(20)21(15-8-11-16(12-9-15)25(27)28)18-13-10-14-4-1-2-5-17(14)23(18)24-19/h1-2,4-5,8-13,21,24H,3,6-7H2
InChIKeyLXQLSWIMGUUKNR-UHFFFAOYSA-N
MW370.41 g/mol
LogP5.31
Rot. Bonds2

About 7-(4-nitrophenyl)-9,10,11,12-tetrahydro-7H-naphtho[1,2-b]quinolin-8-one

7-(4-nitrophenyl)-9,10,11,12-tetrahydro-7H-naphtho[1,2-b]quinolin-8-one (PubChem CID 42642087) has the molecular formula C23H18N2O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is 7-(4-nitrophenyl)-9,10,11,12-tetrahydro-7H-naphtho[1,2-b]quinolin-8-one.

Molecular Properties

Compound Name7-(4-nitrophenyl)-9,10,11,12-tetrahydro-7H-naphtho[1,2-b]quinolin-8-one
PubChem CID42642087
Molecular FormulaC23H18N2O3
Molecular Weight370.41 g/mol
Exact Mass370.13
IUPAC Name7-(4-nitrophenyl)-9,10,11,12-tetrahydro-7H-naphtho[1,2-b]quinolin-8-one
SMILESO=C1CCCC2=C1C(c1ccc([N+](=O)[O-])cc1)c1ccc3ccccc3c1N2
InChIInChI=1S/C23H18N2O3/c26-20-7-3-6-19-22(20)21(15-8-11-16(12-9-15)25(27)28)18-13-10-14-4-1-2-5-17(14)23(18)24-19/h1-2,4-5,8-13,21,24H,3,6-7H2
InChIKeyLXQLSWIMGUUKNR-UHFFFAOYSA-N
XLogP5.31
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.41
LogP ≤ 55.31
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

(7S)-10,10-dimethyl-7-phenyl-7,9,11,12-tetrahydronaphtho[1,2-b]quinolin-8-one
CID 40523336
7-(4-aminophenyl)-10,10-dimethyl-7,9,11,12-tetrahydronaphtho[1,2-b]quinolin-8-one
CID 14171492
11-methylidene-10-(4-nitrophenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinolin-9-one
CID 167512794
7-(4-methoxyphenyl)-10,10-dimethyl-7,9,11,12-tetrahydronaphtho[1,2-b]quinolin-8-one
CID 4261678
2-methyl-4-(4-nitrophenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
CID 2863459
(4R)-2-methyl-4-(4-nitrophenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
CID 749192
(4-methoxyphenyl)methyl (4R)-2-methyl-4-(4-nitrophenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 1361271
7-(4-propan-2-ylphenyl)-9,10,11,12-tetrahydro-7H-benzo[b][1,7]phenanthrolin-8-one
CID 78472638
2-ethylsulfanyl-5-(4-nitrophenyl)-3,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione
CID 86261316
7-(4-hydroxyphenyl)-3-methyl-9,10,11,12-tetrahydro-7H-benzo[b][1,7]phenanthrolin-8-one
CID 46914001
2-[(2-chlorophenyl)methylsulfanyl]-5-(4-nitrophenyl)-3,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione
CID 86261332
(7S)-7-(1,3-benzodioxol-5-yl)-9,10,11,12-tetrahydro-7H-benzo[b][1,7]phenanthrolin-8-one
CID 1267299

Frequently Asked Questions

What is the IUPAC name of 7-(4-nitrophenyl)-9,10,11,12-tetrahydro-7H-naphtho[1,2-b]quinolin-8-one?
The IUPAC name of 7-(4-nitrophenyl)-9,10,11,12-tetrahydro-7H-naphtho[1,2-b]quinolin-8-one (CID 42642087) is 7-(4-nitrophenyl)-9,10,11,12-tetrahydro-7H-naphtho[1,2-b]quinolin-8-one.
What is the SMILES notation for 7-(4-nitrophenyl)-9,10,11,12-tetrahydro-7H-naphtho[1,2-b]quinolin-8-one?
The canonical SMILES for 7-(4-nitrophenyl)-9,10,11,12-tetrahydro-7H-naphtho[1,2-b]quinolin-8-one is O=C1CCCC2=C1C(c1ccc([N+](=O)[O-])cc1)c1ccc3ccccc3c1N2.
What is the InChIKey of 7-(4-nitrophenyl)-9,10,11,12-tetrahydro-7H-naphtho[1,2-b]quinolin-8-one?
The InChIKey is LXQLSWIMGUUKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O3/c26-20-7-3-6-19-22(20)21(15-8-11-16(12-9-15)25(27)28)18-13-10-14-4-1-2-5-17(14)23(18)24-19/h1-2,4-5,8-13,21,24H,3,6-7H2.
What are the key properties of 7-(4-nitrophenyl)-9,10,11,12-tetrahydro-7H-naphtho[1,2-b]quinolin-8-one?
7-(4-nitrophenyl)-9,10,11,12-tetrahydro-7H-naphtho[1,2-b]quinolin-8-one has a molecular weight of 370.41 g/mol, XLogP of 5.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-nitrophenyl)-9,10,11,12-tetrahydro-7H-naphtho[1,2-b]quinolin-8-one is sourced from PubChem (CID 42642087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).