6-chloro-N,N-diethyl-4-(4-nitrophenyl)quinolin-2-amine

C19H18ClN3O2 — CID 66704005

IUPAC6-chloro-N,N-diethyl-4-(4-nitrophenyl)quinolin-2-amine
SMILESCCN(CC)c1cc(-c2ccc([N+](=O)[O-])cc2)c2cc(Cl)ccc2n1
InChIInChI=1S/C19H18ClN3O2/c1-3-22(4-2)19-12-16(13-5-8-15(9-6-13)23(24)25)17-11-14(20)7-10-18(17)21-19/h5-12H,3-4H2,1-2H3
InChIKeyFVPQTVGBXSBNLL-UHFFFAOYSA-N
MW355.83 g/mol
LogP5.31
Rot. Bonds5

About 6-chloro-N,N-diethyl-4-(4-nitrophenyl)quinolin-2-amine

6-chloro-N,N-diethyl-4-(4-nitrophenyl)quinolin-2-amine (PubChem CID 66704005) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.83 g/mol. Its IUPAC name is 6-chloro-N,N-diethyl-4-(4-nitrophenyl)quinolin-2-amine.

Molecular Properties

Compound Name6-chloro-N,N-diethyl-4-(4-nitrophenyl)quinolin-2-amine
PubChem CID66704005
Molecular FormulaC19H18ClN3O2
Molecular Weight355.83 g/mol
Exact Mass355.11
IUPAC Name6-chloro-N,N-diethyl-4-(4-nitrophenyl)quinolin-2-amine
SMILESCCN(CC)c1cc(-c2ccc([N+](=O)[O-])cc2)c2cc(Cl)ccc2n1
InChIInChI=1S/C19H18ClN3O2/c1-3-22(4-2)19-12-16(13-5-8-15(9-6-13)23(24)25)17-11-14(20)7-10-18(17)21-19/h5-12H,3-4H2,1-2H3
InChIKeyFVPQTVGBXSBNLL-UHFFFAOYSA-N
XLogP5.31
TPSA59.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.83
LogP ≤ 55.31
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

6-chloro-2-(4-nitrophenyl)-4-phenylquinazoline
CID 15566178
2-chloro-6-nitro-4-phenylquinoline
CID 21488599
6-chloro-2-(4-methyl-3-nitrophenyl)-4-phenylquinoline
CID 8965952
6-chloro-2-ethyl-4-phenylquinoline
CID 622532
N'-ethyl-N'-(6-nitroquinolin-2-yl)ethane-1,2-diamine
CID 114900667
3-(2,4-dichlorophenyl)-1-(4-nitrophenyl)benzo[f]quinoline
CID 44613757
N,N-diethyl-4-(4-nitrophenyl)aniline
CID 21449597
4-chloro-2-(4-nitrophenyl)benzoic acid
CID 175503510
N-[6-chloro-2-[(E)-2-(4-nitrophenyl)ethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 162656938
6-nitro-2-[3-(6-nitro-4-phenylquinolin-2-yl)phenyl]-4-phenylquinoline
CID 10650785
2-(4-methoxyphenyl)-6-nitro-4-phenylquinoline
CID 632059
2-(2-chloro-6-nitroacridin-9-yl)sulfanyl-1-(4-nitrophenyl)ethanone
CID 3077591

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N,N-diethyl-4-(4-nitrophenyl)quinolin-2-amine?
The IUPAC name of 6-chloro-N,N-diethyl-4-(4-nitrophenyl)quinolin-2-amine (CID 66704005) is 6-chloro-N,N-diethyl-4-(4-nitrophenyl)quinolin-2-amine.
What is the SMILES notation for 6-chloro-N,N-diethyl-4-(4-nitrophenyl)quinolin-2-amine?
The canonical SMILES for 6-chloro-N,N-diethyl-4-(4-nitrophenyl)quinolin-2-amine is CCN(CC)c1cc(-c2ccc([N+](=O)[O-])cc2)c2cc(Cl)ccc2n1.
What is the InChIKey of 6-chloro-N,N-diethyl-4-(4-nitrophenyl)quinolin-2-amine?
The InChIKey is FVPQTVGBXSBNLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2/c1-3-22(4-2)19-12-16(13-5-8-15(9-6-13)23(24)25)17-11-14(20)7-10-18(17)21-19/h5-12H,3-4H2,1-2H3.
What are the key properties of 6-chloro-N,N-diethyl-4-(4-nitrophenyl)quinolin-2-amine?
6-chloro-N,N-diethyl-4-(4-nitrophenyl)quinolin-2-amine has a molecular weight of 355.83 g/mol, XLogP of 5.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N,N-diethyl-4-(4-nitrophenyl)quinolin-2-amine is sourced from PubChem (CID 66704005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).