1-[(2-chloro-5-nitrophenyl)methyl]-3,4-dihydro-2H-quinoline

C16H15ClN2O2 — CID 43350274

IUPAC1-[(2-chloro-5-nitrophenyl)methyl]-3,4-dihydro-2H-quinoline
SMILESO=[N+]([O-])c1ccc(Cl)c(CN2CCCc3ccccc32)c1
InChIInChI=1S/C16H15ClN2O2/c17-15-8-7-14(19(20)21)10-13(15)11-18-9-3-5-12-4-1-2-6-16(12)18/h1-2,4,6-8,10H,3,5,9,11H2
InChIKeyQCQIUFMDNJCUJT-UHFFFAOYSA-N
MW302.76 g/mol
LogP4.20
Rot. Bonds3

About 1-[(2-chloro-5-nitrophenyl)methyl]-3,4-dihydro-2H-quinoline

1-[(2-chloro-5-nitrophenyl)methyl]-3,4-dihydro-2H-quinoline (PubChem CID 43350274) has the molecular formula C16H15ClN2O2 and a molecular weight of 302.76 g/mol. Its IUPAC name is 1-[(2-chloro-5-nitrophenyl)methyl]-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-[(2-chloro-5-nitrophenyl)methyl]-3,4-dihydro-2H-quinoline
PubChem CID43350274
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC Name1-[(2-chloro-5-nitrophenyl)methyl]-3,4-dihydro-2H-quinoline
SMILESO=[N+]([O-])c1ccc(Cl)c(CN2CCCc3ccccc32)c1
InChIInChI=1S/C16H15ClN2O2/c17-15-8-7-14(19(20)21)10-13(15)11-18-9-3-5-12-4-1-2-6-16(12)18/h1-2,4,6-8,10H,3,5,9,11H2
InChIKeyQCQIUFMDNJCUJT-UHFFFAOYSA-N
XLogP4.20
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 54.20
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'}

Analyze 1-[(2-chloro-5-nitrophenyl)methyl]-3,4-dihydro-2H-quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-nitroaniline
CID 62184628
1-[(2-chloro-5-nitrophenyl)methyl]piperidine
CID 43350269
1-[(2-chloro-5-nitrophenyl)methyl]pyrrolidine-2,5-dione
CID 43169169
2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-5-(4-nitrophenyl)-1,3,4-oxadiazole
CID 31337841
1-[(2-chloro-5-nitrophenyl)methyl]-4-methyl-1,4-diazepane
CID 2838717
1-[2-(chloromethyl)-4-nitrophenyl]-2,3-dihydroindole
CID 28964405
2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylmethyl)aniline
CID 28721399
6-bromo-8-(3,4-dihydro-2H-quinolin-1-ylmethyl)-5-nitro-1,2,3,4-tetrahydroquinoxaline-2,3-diol
CID 174370186
2-(3,4-dihydro-2H-quinolin-1-yl)-N'-[2-(4-nitrophenyl)sulfanylacetyl]acetohydrazide
CID 9159938
1-[(4,6-dichloro-3-pyridinyl)methyl]-2,3,4,5-tetrahydro-1-benzazepine
CID 116519024
1-[(2-methoxy-5-nitrophenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzodiazepine;hydrochloride
CID 119921238
1-[(2-chloro-5-nitrophenyl)methyl]-4,4-difluoropiperidine
CID 171365172

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-5-nitrophenyl)methyl]-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-[(2-chloro-5-nitrophenyl)methyl]-3,4-dihydro-2H-quinoline (CID 43350274) is 1-[(2-chloro-5-nitrophenyl)methyl]-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-[(2-chloro-5-nitrophenyl)methyl]-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-[(2-chloro-5-nitrophenyl)methyl]-3,4-dihydro-2H-quinoline is O=[N+]([O-])c1ccc(Cl)c(CN2CCCc3ccccc32)c1.
What is the InChIKey of 1-[(2-chloro-5-nitrophenyl)methyl]-3,4-dihydro-2H-quinoline?
The InChIKey is QCQIUFMDNJCUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2/c17-15-8-7-14(19(20)21)10-13(15)11-18-9-3-5-12-4-1-2-6-16(12)18/h1-2,4,6-8,10H,3,5,9,11H2.
What are the key properties of 1-[(2-chloro-5-nitrophenyl)methyl]-3,4-dihydro-2H-quinoline?
1-[(2-chloro-5-nitrophenyl)methyl]-3,4-dihydro-2H-quinoline has a molecular weight of 302.76 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-5-nitrophenyl)methyl]-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 43350274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).