6-nitro-1-(1-phenylpropyl)-3,4-dihydroquinolin-2-one

C18H18N2O3 — CID 170748239

IUPAC6-nitro-1-(1-phenylpropyl)-3,4-dihydroquinolin-2-one
SMILESCCC(c1ccccc1)N1C(=O)CCc2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C18H18N2O3/c1-2-16(13-6-4-3-5-7-13)19-17-10-9-15(20(22)23)12-14(17)8-11-18(19)21/h3-7,9-10,12,16H,2,8,11H2,1H3
InChIKeyZZFABNXSEDBBKX-UHFFFAOYSA-N
MW310.35 g/mol
LogP4.03
Rot. Bonds4

About 6-nitro-1-(1-phenylpropyl)-3,4-dihydroquinolin-2-one

6-nitro-1-(1-phenylpropyl)-3,4-dihydroquinolin-2-one (PubChem CID 170748239) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 6-nitro-1-(1-phenylpropyl)-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-nitro-1-(1-phenylpropyl)-3,4-dihydroquinolin-2-one
PubChem CID170748239
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name6-nitro-1-(1-phenylpropyl)-3,4-dihydroquinolin-2-one
SMILESCCC(c1ccccc1)N1C(=O)CCc2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C18H18N2O3/c1-2-16(13-6-4-3-5-7-13)19-17-10-9-15(20(22)23)12-14(17)8-11-18(19)21/h3-7,9-10,12,16H,2,8,11H2,1H3
InChIKeyZZFABNXSEDBBKX-UHFFFAOYSA-N
XLogP4.03
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

1-(1-ethoxyethyl)-6-nitro-3,4-dihydroquinolin-2-one
CID 126505110
6-nitro-1-[1-[3-(trifluoromethyl)phenyl]ethyl]-3,4-dihydroquinolin-2-one
CID 170748345
1-tert-butyl-3-[2-oxo-1-(1-phenylpropyl)-3,4-dihydroquinolin-6-yl]urea
CID 170748322
1-[2-(bromomethyl)-3-methylbutyl]-6-nitro-3,4-dihydroquinolin-2-one
CID 65011642
methyl-[2-(6-nitro-2-oxo-3,4-dihydroquinolin-1-yl)ethyl]carbamic acid
CID 123878031
6-nitro-1-[3-(propylamino)propyl]-3,4-dihydroquinolin-2-one
CID 61387942
1-[[1-(bromomethyl)cyclobutyl]methyl]-6-nitro-3,4-dihydroquinolin-2-one
CID 65007670
7-nitro-1-(2-oxobutyl)-4,5-dihydro-3H-1-benzazepin-2-one
CID 62039969
1-[2-(ethylamino)ethyl]-7-nitro-4,5-dihydro-3H-1-benzazepin-2-one
CID 61388078
1-benzyl-2-methyl-6-nitro-3,4-dihydro-2H-quinoline
CID 24997215
1-ethyl-6-(4-nitroanilino)-3,4-dihydroquinolin-2-one
CID 133459327
1-(2-hydroxyethyl)-7-nitro-4,5-dihydro-3H-1-benzazepin-2-one
CID 43509796

Frequently Asked Questions

What is the IUPAC name of 6-nitro-1-(1-phenylpropyl)-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-nitro-1-(1-phenylpropyl)-3,4-dihydroquinolin-2-one (CID 170748239) is 6-nitro-1-(1-phenylpropyl)-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-nitro-1-(1-phenylpropyl)-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-nitro-1-(1-phenylpropyl)-3,4-dihydroquinolin-2-one is CCC(c1ccccc1)N1C(=O)CCc2cc([N+](=O)[O-])ccc21.
What is the InChIKey of 6-nitro-1-(1-phenylpropyl)-3,4-dihydroquinolin-2-one?
The InChIKey is ZZFABNXSEDBBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-2-16(13-6-4-3-5-7-13)19-17-10-9-15(20(22)23)12-14(17)8-11-18(19)21/h3-7,9-10,12,16H,2,8,11H2,1H3.
What are the key properties of 6-nitro-1-(1-phenylpropyl)-3,4-dihydroquinolin-2-one?
6-nitro-1-(1-phenylpropyl)-3,4-dihydroquinolin-2-one has a molecular weight of 310.35 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitro-1-(1-phenylpropyl)-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 170748239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).