6-chloro-8-methyl-N-(2-methylpentyl)quinolin-5-amine

C16H21ClN2 — CID 43674590

IUPAC6-chloro-8-methyl-N-(2-methylpentyl)quinolin-5-amine
SMILESCCCC(C)CNc1c(Cl)cc(C)c2ncccc12
InChIInChI=1S/C16H21ClN2/c1-4-6-11(2)10-19-16-13-7-5-8-18-15(13)12(3)9-14(16)17/h5,7-9,11,19H,4,6,10H2,1-3H3
InChIKeyDOHCQIVBUYPTPD-UHFFFAOYSA-N
MW276.81 g/mol
LogP5.04
Rot. Bonds5

About 6-chloro-8-methyl-N-(2-methylpentyl)quinolin-5-amine

6-chloro-8-methyl-N-(2-methylpentyl)quinolin-5-amine (PubChem CID 43674590) has the molecular formula C16H21ClN2 and a molecular weight of 276.81 g/mol. Its IUPAC name is 6-chloro-8-methyl-N-(2-methylpentyl)quinolin-5-amine.

Molecular Properties

Compound Name6-chloro-8-methyl-N-(2-methylpentyl)quinolin-5-amine
PubChem CID43674590
Molecular FormulaC16H21ClN2
Molecular Weight276.81 g/mol
Exact Mass276.14
IUPAC Name6-chloro-8-methyl-N-(2-methylpentyl)quinolin-5-amine
SMILESCCCC(C)CNc1c(Cl)cc(C)c2ncccc12
InChIInChI=1S/C16H21ClN2/c1-4-6-11(2)10-19-16-13-7-5-8-18-15(13)12(3)9-14(16)17/h5,7-9,11,19H,4,6,10H2,1-3H3
InChIKeyDOHCQIVBUYPTPD-UHFFFAOYSA-N
XLogP5.04
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.81
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-N-hexan-2-yl-8-methylquinolin-5-amine
CID 43779304
6-chloro-N-(3,3-dimethylbutyl)-8-methylquinolin-5-amine
CID 63427847
6-chloro-8-methyl-N-[(2-methylphenyl)methyl]quinolin-5-amine
CID 43674610
6-chloro-N-[(1-ethylimidazol-2-yl)methyl]-8-methylquinolin-5-amine
CID 62357068
6-chloro-N-[(3-fluorophenyl)methyl]-8-methylquinolin-5-amine
CID 43674609
4-amino-N-(6-chloro-8-methylquinolin-5-yl)-2-methylbutanamide
CID 80543358
6-chloro-N-(1H-imidazol-5-ylmethyl)-8-methylquinolin-5-amine
CID 62763180
2-bromo-N-(6-chloro-8-methylquinolin-5-yl)butanamide
CID 55126113
6-[[(6-chloro-8-methylquinolin-5-yl)amino]methyl]pyridin-3-ol
CID 79782036
(2S)-2-amino-N-(6-chloro-8-methylquinolin-5-yl)butanamide
CID 79024943
2-methyl-N-[(2S)-2-methylpentyl]pyridin-3-amine
CID 97044827
N-[(3-aminothiophen-2-yl)methyl]-6-chloro-8-methylquinolin-5-amine
CID 66385330

Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-methyl-N-(2-methylpentyl)quinolin-5-amine?
The IUPAC name of 6-chloro-8-methyl-N-(2-methylpentyl)quinolin-5-amine (CID 43674590) is 6-chloro-8-methyl-N-(2-methylpentyl)quinolin-5-amine.
What is the SMILES notation for 6-chloro-8-methyl-N-(2-methylpentyl)quinolin-5-amine?
The canonical SMILES for 6-chloro-8-methyl-N-(2-methylpentyl)quinolin-5-amine is CCCC(C)CNc1c(Cl)cc(C)c2ncccc12.
What is the InChIKey of 6-chloro-8-methyl-N-(2-methylpentyl)quinolin-5-amine?
The InChIKey is DOHCQIVBUYPTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2/c1-4-6-11(2)10-19-16-13-7-5-8-18-15(13)12(3)9-14(16)17/h5,7-9,11,19H,4,6,10H2,1-3H3.
What are the key properties of 6-chloro-8-methyl-N-(2-methylpentyl)quinolin-5-amine?
6-chloro-8-methyl-N-(2-methylpentyl)quinolin-5-amine has a molecular weight of 276.81 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-8-methyl-N-(2-methylpentyl)quinolin-5-amine is sourced from PubChem (CID 43674590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).