1-(3-chloro-2-nitrophenyl)-3-methyl-3,4-dihydro-2H-quinoline

C16H15ClN2O2 — CID 104839024

IUPAC1-(3-chloro-2-nitrophenyl)-3-methyl-3,4-dihydro-2H-quinoline
SMILESCC1Cc2ccccc2N(c2cccc(Cl)c2[N+](=O)[O-])C1
InChIInChI=1S/C16H15ClN2O2/c1-11-9-12-5-2-3-7-14(12)18(10-11)15-8-4-6-13(17)16(15)19(20)21/h2-8,11H,9-10H2,1H3
InChIKeyZDAFUXQXDDJNTG-UHFFFAOYSA-N
MW302.76 g/mol
LogP4.58
Rot. Bonds2

About 1-(3-chloro-2-nitrophenyl)-3-methyl-3,4-dihydro-2H-quinoline

1-(3-chloro-2-nitrophenyl)-3-methyl-3,4-dihydro-2H-quinoline (PubChem CID 104839024) has the molecular formula C16H15ClN2O2 and a molecular weight of 302.76 g/mol. Its IUPAC name is 1-(3-chloro-2-nitrophenyl)-3-methyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-(3-chloro-2-nitrophenyl)-3-methyl-3,4-dihydro-2H-quinoline
PubChem CID104839024
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC Name1-(3-chloro-2-nitrophenyl)-3-methyl-3,4-dihydro-2H-quinoline
SMILESCC1Cc2ccccc2N(c2cccc(Cl)c2[N+](=O)[O-])C1
InChIInChI=1S/C16H15ClN2O2/c1-11-9-12-5-2-3-7-14(12)18(10-11)15-8-4-6-13(17)16(15)19(20)21/h2-8,11H,9-10H2,1H3
InChIKeyZDAFUXQXDDJNTG-UHFFFAOYSA-N
XLogP4.58
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 54.58
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-(3-chloro-2-nitrophenyl)-2-methyl-2,3-dihydroindole
CID 104838682
1-[2-(bromomethyl)-3-chlorophenyl]-3-methyl-3,4-dihydro-2H-quinoline
CID 107083487
2-chloro-6-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)benzenecarbothioamide
CID 63520501
3,5-dichloro-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)aniline
CID 106890411
4-(bromomethyl)-1-(3-chloro-2-nitrophenyl)pyrrolidin-2-one
CID 168506155
methyl 1-(3-chloro-2-nitrophenyl)-5-oxopyrrolidine-3-carboxylate
CID 168695272
1-(3-fluoro-5-nitrophenyl)-3-methyl-3,4-dihydro-2H-quinoline
CID 80752021
1-(3-chloro-2-nitrophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168716069
1-(6-chloro-2-pyridinyl)-3-methyl-3,4-dihydro-2H-quinoline
CID 63587479
1-(3-chloro-2-nitrophenyl)-N,N-dimethylpiperidin-4-amine
CID 104838828
4-(3-chloro-2-nitrophenyl)-2-methylmorpholine
CID 104838773
2-(3-chloro-2-nitrophenyl)-2-azabicyclo[2.2.1]heptane
CID 104838905

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-nitrophenyl)-3-methyl-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-(3-chloro-2-nitrophenyl)-3-methyl-3,4-dihydro-2H-quinoline (CID 104839024) is 1-(3-chloro-2-nitrophenyl)-3-methyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-(3-chloro-2-nitrophenyl)-3-methyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-(3-chloro-2-nitrophenyl)-3-methyl-3,4-dihydro-2H-quinoline is CC1Cc2ccccc2N(c2cccc(Cl)c2[N+](=O)[O-])C1.
What is the InChIKey of 1-(3-chloro-2-nitrophenyl)-3-methyl-3,4-dihydro-2H-quinoline?
The InChIKey is ZDAFUXQXDDJNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2/c1-11-9-12-5-2-3-7-14(12)18(10-11)15-8-4-6-13(17)16(15)19(20)21/h2-8,11H,9-10H2,1H3.
What are the key properties of 1-(3-chloro-2-nitrophenyl)-3-methyl-3,4-dihydro-2H-quinoline?
1-(3-chloro-2-nitrophenyl)-3-methyl-3,4-dihydro-2H-quinoline has a molecular weight of 302.76 g/mol, XLogP of 4.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-nitrophenyl)-3-methyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 104839024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).