6-nitro-1-[3-(propylamino)propyl]-3,4-dihydroquinolin-2-one

C15H21N3O3 — CID 61387942

IUPAC6-nitro-1-[3-(propylamino)propyl]-3,4-dihydroquinolin-2-one
SMILESCCCNCCCN1C(=O)CCc2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C15H21N3O3/c1-2-8-16-9-3-10-17-14-6-5-13(18(20)21)11-12(14)4-7-15(17)19/h5-6,11,16H,2-4,7-10H2,1H3
InChIKeyZCPUUNDXYZOQQO-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.26
Rot. Bonds7

About 6-nitro-1-[3-(propylamino)propyl]-3,4-dihydroquinolin-2-one

6-nitro-1-[3-(propylamino)propyl]-3,4-dihydroquinolin-2-one (PubChem CID 61387942) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 6-nitro-1-[3-(propylamino)propyl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-nitro-1-[3-(propylamino)propyl]-3,4-dihydroquinolin-2-one
PubChem CID61387942
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name6-nitro-1-[3-(propylamino)propyl]-3,4-dihydroquinolin-2-one
SMILESCCCNCCCN1C(=O)CCc2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C15H21N3O3/c1-2-8-16-9-3-10-17-14-6-5-13(18(20)21)11-12(14)4-7-15(17)19/h5-6,11,16H,2-4,7-10H2,1H3
InChIKeyZCPUUNDXYZOQQO-UHFFFAOYSA-N
XLogP2.26
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[3-(2-hydroxyethylamino)propyl]-6-nitro-3,4-dihydroquinolin-2-one
CID 57343560
1-[2-(ethylamino)ethyl]-7-nitro-4,5-dihydro-3H-1-benzazepin-2-one
CID 61388078
methyl-[2-(6-nitro-2-oxo-3,4-dihydroquinolin-1-yl)ethyl]carbamic acid
CID 123878031
7-fluoro-1-[3-(propylamino)propyl]-3,4-dihydroquinolin-2-one
CID 61387656
1-(2-hydroxyethyl)-7-nitro-4,5-dihydro-3H-1-benzazepin-2-one
CID 43509796
1-ethyl-6-(4-nitroanilino)-3,4-dihydroquinolin-2-one
CID 133459327
1-[[1-(bromomethyl)cyclobutyl]methyl]-6-nitro-3,4-dihydroquinolin-2-one
CID 65007670
5-nitro-1-[2-(propylamino)ethyl]indole-2,3-dione
CID 61387358
1-[2-(bromomethyl)-3-methylbutyl]-6-nitro-3,4-dihydroquinolin-2-one
CID 65011642
4-(5-nitro-2-oxo-3H-indol-1-yl)butanehydrazide
CID 63577959
7-nitro-1-(2-oxobutyl)-4,5-dihydro-3H-1-benzazepin-2-one
CID 62039969
7-fluoro-1-[2-(propylamino)ethyl]-3,4-dihydroquinolin-2-one
CID 61387630

Frequently Asked Questions

What is the IUPAC name of 6-nitro-1-[3-(propylamino)propyl]-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-nitro-1-[3-(propylamino)propyl]-3,4-dihydroquinolin-2-one (CID 61387942) is 6-nitro-1-[3-(propylamino)propyl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-nitro-1-[3-(propylamino)propyl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-nitro-1-[3-(propylamino)propyl]-3,4-dihydroquinolin-2-one is CCCNCCCN1C(=O)CCc2cc([N+](=O)[O-])ccc21.
What is the InChIKey of 6-nitro-1-[3-(propylamino)propyl]-3,4-dihydroquinolin-2-one?
The InChIKey is ZCPUUNDXYZOQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-2-8-16-9-3-10-17-14-6-5-13(18(20)21)11-12(14)4-7-15(17)19/h5-6,11,16H,2-4,7-10H2,1H3.
What are the key properties of 6-nitro-1-[3-(propylamino)propyl]-3,4-dihydroquinolin-2-one?
6-nitro-1-[3-(propylamino)propyl]-3,4-dihydroquinolin-2-one has a molecular weight of 291.35 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitro-1-[3-(propylamino)propyl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 61387942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).