7-chloro-N-[2-(6-methyl-3-pyridinyl)ethyl]quinolin-4-amine

C17H16ClN3 — CID 133354915

IUPAC7-chloro-N-[2-(6-methyl-3-pyridinyl)ethyl]quinolin-4-amine
SMILESCc1ccc(CCNc2ccnc3cc(Cl)ccc23)cn1
InChIInChI=1S/C17H16ClN3/c1-12-2-3-13(11-21-12)6-8-19-16-7-9-20-17-10-14(18)4-5-15(16)17/h2-5,7,9-11H,6,8H2,1H3,(H,19,20)
InChIKeyZDVLPECLDSREJP-UHFFFAOYSA-N
MW297.79 g/mol
LogP4.25
Rot. Bonds4

About 7-chloro-N-[2-(6-methyl-3-pyridinyl)ethyl]quinolin-4-amine

7-chloro-N-[2-(6-methyl-3-pyridinyl)ethyl]quinolin-4-amine (PubChem CID 133354915) has the molecular formula C17H16ClN3 and a molecular weight of 297.79 g/mol. Its IUPAC name is 7-chloro-N-[2-(6-methyl-3-pyridinyl)ethyl]quinolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-[2-(6-methyl-3-pyridinyl)ethyl]quinolin-4-amine
PubChem CID133354915
Molecular FormulaC17H16ClN3
Molecular Weight297.79 g/mol
Exact Mass297.10
IUPAC Name7-chloro-N-[2-(6-methyl-3-pyridinyl)ethyl]quinolin-4-amine
SMILESCc1ccc(CCNc2ccnc3cc(Cl)ccc23)cn1
InChIInChI=1S/C17H16ClN3/c1-12-2-3-13(11-21-12)6-8-19-16-7-9-20-17-10-14(18)4-5-15(16)17/h2-5,7,9-11H,6,8H2,1H3,(H,19,20)
InChIKeyZDVLPECLDSREJP-UHFFFAOYSA-N
XLogP4.25
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-[2-(6-methyl-3-pyridinyl)ethyl]quinolin-4-amine
CID 133361385
7-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]quinolin-4-amine
CID 78955180
N-[2-[3-amino-5-[2-[(7-chloroquinolin-4-yl)amino]ethyl]phenyl]ethyl]-7-methylquinolin-4-amine
CID 58223366
8-methyl-N-[2-(6-methyl-3-pyridinyl)ethyl]quinolin-4-amine
CID 133388769
N-butyl-7-chloroquinolin-4-amine
CID 10037042
N,N'-bis(7-chloroquinolin-4-yl)octane-1,8-diamine;hydrochloride
CID 44531641
N'-(7-chloroquinolin-4-yl)-N-ethylethane-1,2-diamine
CID 44543907
(E)-N,N'-bis(7-chloroquinolin-4-yl)but-2-ene-1,4-diamine
CID 18933493
7-chloro-N-[2-(cyclohexen-1-yl)ethyl]quinolin-4-amine
CID 11587318
CID 70870191
CID 70870191
7-chloro-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]quinolin-4-amine
CID 133347532
N-(7-chloroquinolin-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine
CID 62639989

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[2-(6-methyl-3-pyridinyl)ethyl]quinolin-4-amine?
The IUPAC name of 7-chloro-N-[2-(6-methyl-3-pyridinyl)ethyl]quinolin-4-amine (CID 133354915) is 7-chloro-N-[2-(6-methyl-3-pyridinyl)ethyl]quinolin-4-amine.
What is the SMILES notation for 7-chloro-N-[2-(6-methyl-3-pyridinyl)ethyl]quinolin-4-amine?
The canonical SMILES for 7-chloro-N-[2-(6-methyl-3-pyridinyl)ethyl]quinolin-4-amine is Cc1ccc(CCNc2ccnc3cc(Cl)ccc23)cn1.
What is the InChIKey of 7-chloro-N-[2-(6-methyl-3-pyridinyl)ethyl]quinolin-4-amine?
The InChIKey is ZDVLPECLDSREJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3/c1-12-2-3-13(11-21-12)6-8-19-16-7-9-20-17-10-14(18)4-5-15(16)17/h2-5,7,9-11H,6,8H2,1H3,(H,19,20).
What are the key properties of 7-chloro-N-[2-(6-methyl-3-pyridinyl)ethyl]quinolin-4-amine?
7-chloro-N-[2-(6-methyl-3-pyridinyl)ethyl]quinolin-4-amine has a molecular weight of 297.79 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[2-(6-methyl-3-pyridinyl)ethyl]quinolin-4-amine is sourced from PubChem (CID 133354915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).