3-(7-chloroquinolin-4-yl)oxy-N-propan-2-ylpropan-1-amine

C15H19ClN2O — CID 62347734

IUPAC3-(7-chloroquinolin-4-yl)oxy-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCCCOc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C15H19ClN2O/c1-11(2)17-7-3-9-19-15-6-8-18-14-10-12(16)4-5-13(14)15/h4-6,8,10-11,17H,3,7,9H2,1-2H3
InChIKeyGWWKNQIIUUDWLF-UHFFFAOYSA-N
MW278.78 g/mol
LogP3.66
Rot. Bonds6

About 3-(7-chloroquinolin-4-yl)oxy-N-propan-2-ylpropan-1-amine

3-(7-chloroquinolin-4-yl)oxy-N-propan-2-ylpropan-1-amine (PubChem CID 62347734) has the molecular formula C15H19ClN2O and a molecular weight of 278.78 g/mol. Its IUPAC name is 3-(7-chloroquinolin-4-yl)oxy-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(7-chloroquinolin-4-yl)oxy-N-propan-2-ylpropan-1-amine
PubChem CID62347734
Molecular FormulaC15H19ClN2O
Molecular Weight278.78 g/mol
Exact Mass278.12
IUPAC Name3-(7-chloroquinolin-4-yl)oxy-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCCCOc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C15H19ClN2O/c1-11(2)17-7-3-9-19-15-6-8-18-14-10-12(16)4-5-13(14)15/h4-6,8,10-11,17H,3,7,9H2,1-2H3
InChIKeyGWWKNQIIUUDWLF-UHFFFAOYSA-N
XLogP3.66
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(7-chloroquinolin-4-yl)oxy-N-propan-2-ylpropan-1-amine 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

4-(7-chloroquinolin-4-yl)oxy-N-[(propan-2-ylamino)methyl]butanamide
CID 90077064
N'-[2-(7-chloroquinolin-4-yl)oxyethyl]-N,N,N'-triethylpropane-1,3-diamine
CID 46225697
7-chloro-N-[(2R)-3-methylbutan-2-yl]quinolin-4-amine
CID 28826141
7-chloro-4-(2-methylpropyl)quinoline
CID 57147452
1-(7-chloroquinolin-4-yl)-3-methyl-N-propylbutan-2-amine
CID 63202281
7-chloro-N-(4-chloro-3-methylbutan-2-yl)quinolin-4-amine
CID 113484977
3-(4-chloro-2-prop-2-enylphenoxy)-N-propan-2-ylpropan-1-amine;oxalic acid
CID 2922806
N-(2-butoxyethyl)-7-chloroquinolin-4-amine
CID 61175681
O-[(3R)-3-[(7-chloroquinolin-4-yl)amino]butyl]hydroxylamine
CID 129361753
(2S)-N-[3-(2,5-dichlorophenoxy)propyl]butan-2-amine
CID 2182170
N-butyl-7-chloroquinolin-4-amine
CID 10037042
3-[(5-chloro-2-methoxyphenyl)methoxy]-N-propan-2-ylpropan-1-amine
CID 55065296

Frequently Asked Questions

What is the IUPAC name of 3-(7-chloroquinolin-4-yl)oxy-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-(7-chloroquinolin-4-yl)oxy-N-propan-2-ylpropan-1-amine (CID 62347734) is 3-(7-chloroquinolin-4-yl)oxy-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-(7-chloroquinolin-4-yl)oxy-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-(7-chloroquinolin-4-yl)oxy-N-propan-2-ylpropan-1-amine is CC(C)NCCCOc1ccnc2cc(Cl)ccc12.
What is the InChIKey of 3-(7-chloroquinolin-4-yl)oxy-N-propan-2-ylpropan-1-amine?
The InChIKey is GWWKNQIIUUDWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O/c1-11(2)17-7-3-9-19-15-6-8-18-14-10-12(16)4-5-13(14)15/h4-6,8,10-11,17H,3,7,9H2,1-2H3.
What are the key properties of 3-(7-chloroquinolin-4-yl)oxy-N-propan-2-ylpropan-1-amine?
3-(7-chloroquinolin-4-yl)oxy-N-propan-2-ylpropan-1-amine has a molecular weight of 278.78 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-chloroquinolin-4-yl)oxy-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 62347734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).