1-(4-nitrophenyl)-3,4-dihydro-2H-quinolin-6-amine

C15H15N3O2 — CID 66635772

IUPAC1-(4-nitrophenyl)-3,4-dihydro-2H-quinolin-6-amine
SMILESNc1ccc2c(c1)CCCN2c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H15N3O2/c16-12-3-8-15-11(10-12)2-1-9-17(15)13-4-6-14(7-5-13)18(19)20/h3-8,10H,1-2,9,16H2
InChIKeyYVNLJQDUQABBMI-UHFFFAOYSA-N
MW269.30 g/mol
LogP3.26
Rot. Bonds2

About 1-(4-nitrophenyl)-3,4-dihydro-2H-quinolin-6-amine

1-(4-nitrophenyl)-3,4-dihydro-2H-quinolin-6-amine (PubChem CID 66635772) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 1-(4-nitrophenyl)-3,4-dihydro-2H-quinolin-6-amine.

Molecular Properties

Compound Name1-(4-nitrophenyl)-3,4-dihydro-2H-quinolin-6-amine
PubChem CID66635772
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name1-(4-nitrophenyl)-3,4-dihydro-2H-quinolin-6-amine
SMILESNc1ccc2c(c1)CCCN2c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H15N3O2/c16-12-3-8-15-11(10-12)2-1-9-17(15)13-4-6-14(7-5-13)18(19)20/h3-8,10H,1-2,9,16H2
InChIKeyYVNLJQDUQABBMI-UHFFFAOYSA-N
XLogP3.26
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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

5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-nitroaniline
CID 106751397
[(Z)-[[4-(6-amino-3,4-dihydro-2H-quinolin-1-yl)phenyl]-cyanomethylidene]amino] acetate
CID 89036237
1-(4-nitrophenyl)azepan-2-one
CID 58962770
4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzene-1,2-diamine
CID 106750204
1-methyl-4-(4-nitrophenyl)piperazine;4-(4-methylpiperazin-1-yl)aniline
CID 69123468
1-(4-methylsulfanylphenyl)-2,3-dihydroindol-5-amine
CID 123534030
molecular nitrogen;4-nitroaniline;hydrochloride
CID 175091269
(4-nitrophenyl)azanium;4-(2-oxopyrrolidin-1-yl)benzenesulfonate
CID 45146735
2-[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine
CID 63784065
6-methyl-1-(2-nitrophenyl)-3,4-dihydro-2H-quinoline
CID 21297656
[2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-nitrobenzoate
CID 27310246
4-(2,3-dihydroindol-1-yl)-3-nitroaniline
CID 82299179

Frequently Asked Questions

What is the IUPAC name of 1-(4-nitrophenyl)-3,4-dihydro-2H-quinolin-6-amine?
The IUPAC name of 1-(4-nitrophenyl)-3,4-dihydro-2H-quinolin-6-amine (CID 66635772) is 1-(4-nitrophenyl)-3,4-dihydro-2H-quinolin-6-amine.
What is the SMILES notation for 1-(4-nitrophenyl)-3,4-dihydro-2H-quinolin-6-amine?
The canonical SMILES for 1-(4-nitrophenyl)-3,4-dihydro-2H-quinolin-6-amine is Nc1ccc2c(c1)CCCN2c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 1-(4-nitrophenyl)-3,4-dihydro-2H-quinolin-6-amine?
The InChIKey is YVNLJQDUQABBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c16-12-3-8-15-11(10-12)2-1-9-17(15)13-4-6-14(7-5-13)18(19)20/h3-8,10H,1-2,9,16H2.
What are the key properties of 1-(4-nitrophenyl)-3,4-dihydro-2H-quinolin-6-amine?
1-(4-nitrophenyl)-3,4-dihydro-2H-quinolin-6-amine has a molecular weight of 269.30 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-nitrophenyl)-3,4-dihydro-2H-quinolin-6-amine is sourced from PubChem (CID 66635772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).