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

C17H16ClN3 — CID 133361385

IUPAC6-chloro-N-[2-(6-methyl-3-pyridinyl)ethyl]quinolin-4-amine
SMILESCc1ccc(CCNc2ccnc3ccc(Cl)cc23)cn1
InChIInChI=1S/C17H16ClN3/c1-12-2-3-13(11-21-12)6-8-19-17-7-9-20-16-5-4-14(18)10-15(16)17/h2-5,7,9-11H,6,8H2,1H3,(H,19,20)
InChIKeyIHFDKBPVZUAJOK-UHFFFAOYSA-N
MW297.79 g/mol
LogP4.25
Rot. Bonds4

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

6-chloro-N-[2-(6-methyl-3-pyridinyl)ethyl]quinolin-4-amine (PubChem CID 133361385) has the molecular formula C17H16ClN3 and a molecular weight of 297.79 g/mol. Its IUPAC name is 6-chloro-N-[2-(6-methyl-3-pyridinyl)ethyl]quinolin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[2-(6-methyl-3-pyridinyl)ethyl]quinolin-4-amine
PubChem CID133361385
Molecular FormulaC17H16ClN3
Molecular Weight297.79 g/mol
Exact Mass297.10
IUPAC Name6-chloro-N-[2-(6-methyl-3-pyridinyl)ethyl]quinolin-4-amine
SMILESCc1ccc(CCNc2ccnc3ccc(Cl)cc23)cn1
InChIInChI=1S/C17H16ClN3/c1-12-2-3-13(11-21-12)6-8-19-17-7-9-20-16-5-4-14(18)10-15(16)17/h2-5,7,9-11H,6,8H2,1H3,(H,19,20)
InChIKeyIHFDKBPVZUAJOK-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

7-chloro-N-[2-(6-methyl-3-pyridinyl)ethyl]quinolin-4-amine
CID 133354915
N-[2-(4-chlorophenyl)ethyl]-6-methoxyquinolin-4-amine
CID 70112929
8-methyl-N-[2-(6-methyl-3-pyridinyl)ethyl]quinolin-4-amine
CID 133388769
N-[2-(4-chlorophenyl)ethyl]-1,6-naphthyridin-4-amine
CID 166233204
6-chloro-N-methylquinolin-4-amine
CID 62192062
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
6-chloro-N-[2-(1H-indol-3-yl)ethyl]quinolin-4-amine
CID 110433242
6-chloro-N-[(3-methylthiophen-2-yl)methyl]quinolin-4-amine
CID 154861094
N-(2-pyridin-3-ylethyl)quinolin-4-amine
CID 61339909
N,N'-bis(6-methylquinolin-4-yl)heptane-1,7-diamine
CID 118717458
N-butyl-7-chloroquinolin-4-amine
CID 10037042

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(6-methyl-3-pyridinyl)ethyl]quinolin-4-amine?
The IUPAC name of 6-chloro-N-[2-(6-methyl-3-pyridinyl)ethyl]quinolin-4-amine (CID 133361385) is 6-chloro-N-[2-(6-methyl-3-pyridinyl)ethyl]quinolin-4-amine.
What is the SMILES notation for 6-chloro-N-[2-(6-methyl-3-pyridinyl)ethyl]quinolin-4-amine?
The canonical SMILES for 6-chloro-N-[2-(6-methyl-3-pyridinyl)ethyl]quinolin-4-amine is Cc1ccc(CCNc2ccnc3ccc(Cl)cc23)cn1.
What is the InChIKey of 6-chloro-N-[2-(6-methyl-3-pyridinyl)ethyl]quinolin-4-amine?
The InChIKey is IHFDKBPVZUAJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3/c1-12-2-3-13(11-21-12)6-8-19-17-7-9-20-16-5-4-14(18)10-15(16)17/h2-5,7,9-11H,6,8H2,1H3,(H,19,20).
What are the key properties of 6-chloro-N-[2-(6-methyl-3-pyridinyl)ethyl]quinolin-4-amine?
6-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 6-chloro-N-[2-(6-methyl-3-pyridinyl)ethyl]quinolin-4-amine is sourced from PubChem (CID 133361385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).