7-chloro-N-[(1S)-1-(2-chlorophenyl)ethyl]quinolin-4-amine

C17H14Cl2N2 — CID 7830951

IUPAC7-chloro-N-[(1S)-1-(2-chlorophenyl)ethyl]quinolin-4-amine
SMILESC[C@H](Nc1ccnc2cc(Cl)ccc12)c1ccccc1Cl
InChIInChI=1S/C17H14Cl2N2/c1-11(13-4-2-3-5-15(13)19)21-16-8-9-20-17-10-12(18)6-7-14(16)17/h2-11H,1H3,(H,20,21)/t11-/m0/s1
InChIKeyTWDVJZQCVYCIRD-NSHDSACASA-N
MW317.22 g/mol
LogP5.71
Rot. Bonds3

About 7-chloro-N-[(1S)-1-(2-chlorophenyl)ethyl]quinolin-4-amine

7-chloro-N-[(1S)-1-(2-chlorophenyl)ethyl]quinolin-4-amine (PubChem CID 7830951) has the molecular formula C17H14Cl2N2 and a molecular weight of 317.22 g/mol. Its IUPAC name is 7-chloro-N-[(1S)-1-(2-chlorophenyl)ethyl]quinolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-[(1S)-1-(2-chlorophenyl)ethyl]quinolin-4-amine
PubChem CID7830951
Molecular FormulaC17H14Cl2N2
Molecular Weight317.22 g/mol
Exact Mass316.05
IUPAC Name7-chloro-N-[(1S)-1-(2-chlorophenyl)ethyl]quinolin-4-amine
SMILESC[C@H](Nc1ccnc2cc(Cl)ccc12)c1ccccc1Cl
InChIInChI=1S/C17H14Cl2N2/c1-11(13-4-2-3-5-15(13)19)21-16-8-9-20-17-10-12(18)6-7-14(16)17/h2-11H,1H3,(H,20,21)/t11-/m0/s1
InChIKeyTWDVJZQCVYCIRD-NSHDSACASA-N
XLogP5.71
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.22
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-chloro-N-[(2R)-3-methylbutan-2-yl]quinolin-4-amine
CID 28826141
2,4-dichloro-N-[1-(2-chlorophenyl)ethyl]aniline
CID 43081262
7-chloro-N-[1-(1,3-thiazol-2-yl)ethyl]quinolin-4-amine
CID 63613248
7-chloro-N-(4-chloro-3-methylbutan-2-yl)quinolin-4-amine
CID 113484977
7-chloro-N-(1-methylsulfanylpropan-2-yl)quinolin-4-amine
CID 115637682
N-[(2S)-4-bromobutan-2-yl]-7-chloroquinolin-4-amine
CID 129361750
5-chloro-N-[1-(2-chlorophenyl)ethyl]-2-ethoxyaniline
CID 63451432
(2R)-2-[(7-chloroquinolin-4-yl)amino]butan-1-ol
CID 44590558
(2S)-2-[(7-chloroquinolin-4-yl)amino]butan-1-ol
CID 44590559
(2S)-2-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpropane-1,2-diamine
CID 11666461
3-chloro-N-[1-(2-chlorophenyl)ethyl]pyridin-4-amine
CID 79769972
O-[(3R)-3-[(7-chloroquinolin-4-yl)amino]butyl]hydroxylamine
CID 129361753

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[(1S)-1-(2-chlorophenyl)ethyl]quinolin-4-amine?
The IUPAC name of 7-chloro-N-[(1S)-1-(2-chlorophenyl)ethyl]quinolin-4-amine (CID 7830951) is 7-chloro-N-[(1S)-1-(2-chlorophenyl)ethyl]quinolin-4-amine.
What is the SMILES notation for 7-chloro-N-[(1S)-1-(2-chlorophenyl)ethyl]quinolin-4-amine?
The canonical SMILES for 7-chloro-N-[(1S)-1-(2-chlorophenyl)ethyl]quinolin-4-amine is C[C@H](Nc1ccnc2cc(Cl)ccc12)c1ccccc1Cl.
What is the InChIKey of 7-chloro-N-[(1S)-1-(2-chlorophenyl)ethyl]quinolin-4-amine?
The InChIKey is TWDVJZQCVYCIRD-NSHDSACASA-N. The full InChI is InChI=1S/C17H14Cl2N2/c1-11(13-4-2-3-5-15(13)19)21-16-8-9-20-17-10-12(18)6-7-14(16)17/h2-11H,1H3,(H,20,21)/t11-/m0/s1.
What are the key properties of 7-chloro-N-[(1S)-1-(2-chlorophenyl)ethyl]quinolin-4-amine?
7-chloro-N-[(1S)-1-(2-chlorophenyl)ethyl]quinolin-4-amine has a molecular weight of 317.22 g/mol, XLogP of 5.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[(1S)-1-(2-chlorophenyl)ethyl]quinolin-4-amine is sourced from PubChem (CID 7830951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).