3-[4-(7-chloroquinolin-2-yl)phenyl]-N-methylpropan-1-amine

C19H19ClN2 — CID 177173639

IUPAC3-[4-(7-chloroquinolin-2-yl)phenyl]-N-methylpropan-1-amine
SMILESCNCCCc1ccc(-c2ccc3ccc(Cl)cc3n2)cc1
InChIInChI=1S/C19H19ClN2/c1-21-12-2-3-14-4-6-15(7-5-14)18-11-9-16-8-10-17(20)13-19(16)22-18/h4-11,13,21H,2-3,12H2,1H3
InChIKeyULAWZNAALZUVIS-UHFFFAOYSA-N
MW310.83 g/mol
LogP4.71
Rot. Bonds5

About 3-[4-(7-chloroquinolin-2-yl)phenyl]-N-methylpropan-1-amine

3-[4-(7-chloroquinolin-2-yl)phenyl]-N-methylpropan-1-amine (PubChem CID 177173639) has the molecular formula C19H19ClN2 and a molecular weight of 310.83 g/mol. Its IUPAC name is 3-[4-(7-chloroquinolin-2-yl)phenyl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-[4-(7-chloroquinolin-2-yl)phenyl]-N-methylpropan-1-amine
PubChem CID177173639
Molecular FormulaC19H19ClN2
Molecular Weight310.83 g/mol
Exact Mass310.12
IUPAC Name3-[4-(7-chloroquinolin-2-yl)phenyl]-N-methylpropan-1-amine
SMILESCNCCCc1ccc(-c2ccc3ccc(Cl)cc3n2)cc1
InChIInChI=1S/C19H19ClN2/c1-21-12-2-3-14-4-6-15(7-5-14)18-11-9-16-8-10-17(20)13-19(16)22-18/h4-11,13,21H,2-3,12H2,1H3
InChIKeyULAWZNAALZUVIS-UHFFFAOYSA-N
XLogP4.71
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(4-chlorophenyl)-N-methylbutan-1-amine;molecular hydrogen
CID 158339832
N-methyl-3-(4-methylphenyl)propan-1-amine
CID 10953856
N-methyl-1-(4-quinolin-2-ylphenyl)methanamine
CID 116645004
2-(4-hexylphenyl)quinoline;iridium(3+)
CID 161040240
7-chloro-2-(3,5-dimethylphenyl)quinoline;2-(3,5-dimethylphenyl)-7-(4-propan-2-ylphenyl)quinoline
CID 174996631
6-(3,4-dichlorophenyl)-N-methylhexan-1-amine
CID 65308866
N-[3-(4-chlorophenyl)propyl]-4-(methylamino)butanamide
CID 119764682
3-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-1-amine
CID 115079419
2-[3-(4-hexylphenyl)-5-methylphenyl]-7-methylquinoline
CID 140745278
3-[4-(1H-imidazol-5-yl)phenyl]-N-methylpropan-1-amine
CID 115029297
N-methyl-3-[4-(1,3-oxazol-5-yl)phenyl]propan-1-amine
CID 115029708
4-(6-pentylquinolin-2-yl)phenol
CID 135525498

Frequently Asked Questions

What is the IUPAC name of 3-[4-(7-chloroquinolin-2-yl)phenyl]-N-methylpropan-1-amine?
The IUPAC name of 3-[4-(7-chloroquinolin-2-yl)phenyl]-N-methylpropan-1-amine (CID 177173639) is 3-[4-(7-chloroquinolin-2-yl)phenyl]-N-methylpropan-1-amine.
What is the SMILES notation for 3-[4-(7-chloroquinolin-2-yl)phenyl]-N-methylpropan-1-amine?
The canonical SMILES for 3-[4-(7-chloroquinolin-2-yl)phenyl]-N-methylpropan-1-amine is CNCCCc1ccc(-c2ccc3ccc(Cl)cc3n2)cc1.
What is the InChIKey of 3-[4-(7-chloroquinolin-2-yl)phenyl]-N-methylpropan-1-amine?
The InChIKey is ULAWZNAALZUVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2/c1-21-12-2-3-14-4-6-15(7-5-14)18-11-9-16-8-10-17(20)13-19(16)22-18/h4-11,13,21H,2-3,12H2,1H3.
What are the key properties of 3-[4-(7-chloroquinolin-2-yl)phenyl]-N-methylpropan-1-amine?
3-[4-(7-chloroquinolin-2-yl)phenyl]-N-methylpropan-1-amine has a molecular weight of 310.83 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(7-chloroquinolin-2-yl)phenyl]-N-methylpropan-1-amine is sourced from PubChem (CID 177173639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).