6-chloro-N-[(1-ethylimidazol-2-yl)methyl]-8-methylquinolin-5-amine

C16H17ClN4 — CID 62357068

IUPAC6-chloro-N-[(1-ethylimidazol-2-yl)methyl]-8-methylquinolin-5-amine
SMILESCCn1ccnc1CNc1c(Cl)cc(C)c2ncccc12
InChIInChI=1S/C16H17ClN4/c1-3-21-8-7-18-14(21)10-20-16-12-5-4-6-19-15(12)11(2)9-13(16)17/h4-9,20H,3,10H2,1-2H3
InChIKeyZNKRRNTUEFVHJV-UHFFFAOYSA-N
MW300.79 g/mol
LogP4.03
Rot. Bonds4

About 6-chloro-N-[(1-ethylimidazol-2-yl)methyl]-8-methylquinolin-5-amine

6-chloro-N-[(1-ethylimidazol-2-yl)methyl]-8-methylquinolin-5-amine (PubChem CID 62357068) has the molecular formula C16H17ClN4 and a molecular weight of 300.79 g/mol. Its IUPAC name is 6-chloro-N-[(1-ethylimidazol-2-yl)methyl]-8-methylquinolin-5-amine.

Molecular Properties

Compound Name6-chloro-N-[(1-ethylimidazol-2-yl)methyl]-8-methylquinolin-5-amine
PubChem CID62357068
Molecular FormulaC16H17ClN4
Molecular Weight300.79 g/mol
Exact Mass300.11
IUPAC Name6-chloro-N-[(1-ethylimidazol-2-yl)methyl]-8-methylquinolin-5-amine
SMILESCCn1ccnc1CNc1c(Cl)cc(C)c2ncccc12
InChIInChI=1S/C16H17ClN4/c1-3-21-8-7-18-14(21)10-20-16-12-5-4-6-19-15(12)11(2)9-13(16)17/h4-9,20H,3,10H2,1-2H3
InChIKeyZNKRRNTUEFVHJV-UHFFFAOYSA-N
XLogP4.03
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-8-methyl-N-[(2-methylphenyl)methyl]quinolin-5-amine
CID 43674610
3-chloro-N-[(1-ethylimidazol-2-yl)methyl]-4-methylaniline
CID 62357562
5,7-dichloro-N-[(1-ethylimidazol-2-yl)methyl]-2,1,3-benzothiadiazol-4-amine
CID 62350460
N-[(1-ethylimidazol-2-yl)methyl]-2-methylpyridin-3-amine
CID 79041847
6-chloro-N-[(3-fluorophenyl)methyl]-8-methylquinolin-5-amine
CID 43674609
6-chloro-N-(3,3-dimethylbutyl)-8-methylquinolin-5-amine
CID 63427847
6-chloro-N-(1H-imidazol-5-ylmethyl)-8-methylquinolin-5-amine
CID 62763180
6-[[(6-chloro-8-methylquinolin-5-yl)amino]methyl]pyridin-3-ol
CID 79782036
N-[(3-aminothiophen-2-yl)methyl]-6-chloro-8-methylquinolin-5-amine
CID 66385330
2-bromo-3-chloro-N-[(1-ethylimidazol-2-yl)methyl]aniline
CID 103478138
2-chloro-N-[(1-ethylimidazol-2-yl)methyl]-5-fluoroaniline
CID 113255916
2-chloro-N-[(1-ethylimidazol-2-yl)methyl]-4-iodoaniline
CID 55064679

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(1-ethylimidazol-2-yl)methyl]-8-methylquinolin-5-amine?
The IUPAC name of 6-chloro-N-[(1-ethylimidazol-2-yl)methyl]-8-methylquinolin-5-amine (CID 62357068) is 6-chloro-N-[(1-ethylimidazol-2-yl)methyl]-8-methylquinolin-5-amine.
What is the SMILES notation for 6-chloro-N-[(1-ethylimidazol-2-yl)methyl]-8-methylquinolin-5-amine?
The canonical SMILES for 6-chloro-N-[(1-ethylimidazol-2-yl)methyl]-8-methylquinolin-5-amine is CCn1ccnc1CNc1c(Cl)cc(C)c2ncccc12.
What is the InChIKey of 6-chloro-N-[(1-ethylimidazol-2-yl)methyl]-8-methylquinolin-5-amine?
The InChIKey is ZNKRRNTUEFVHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4/c1-3-21-8-7-18-14(21)10-20-16-12-5-4-6-19-15(12)11(2)9-13(16)17/h4-9,20H,3,10H2,1-2H3.
What are the key properties of 6-chloro-N-[(1-ethylimidazol-2-yl)methyl]-8-methylquinolin-5-amine?
6-chloro-N-[(1-ethylimidazol-2-yl)methyl]-8-methylquinolin-5-amine has a molecular weight of 300.79 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(1-ethylimidazol-2-yl)methyl]-8-methylquinolin-5-amine is sourced from PubChem (CID 62357068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).