8-chloro-N-[(3-ethylimidazol-4-yl)methyl]quinolin-5-amine

C15H15ClN4 — CID 66132568

IUPAC8-chloro-N-[(3-ethylimidazol-4-yl)methyl]quinolin-5-amine
SMILESCCn1cncc1CNc1ccc(Cl)c2ncccc12
InChIInChI=1S/C15H15ClN4/c1-2-20-10-17-8-11(20)9-19-14-6-5-13(16)15-12(14)4-3-7-18-15/h3-8,10,19H,2,9H2,1H3
InChIKeyZMRGPOOQVCYSKY-UHFFFAOYSA-N
MW286.77 g/mol
LogP3.72
Rot. Bonds4

About 8-chloro-N-[(3-ethylimidazol-4-yl)methyl]quinolin-5-amine

8-chloro-N-[(3-ethylimidazol-4-yl)methyl]quinolin-5-amine (PubChem CID 66132568) has the molecular formula C15H15ClN4 and a molecular weight of 286.77 g/mol. Its IUPAC name is 8-chloro-N-[(3-ethylimidazol-4-yl)methyl]quinolin-5-amine.

Molecular Properties

Compound Name8-chloro-N-[(3-ethylimidazol-4-yl)methyl]quinolin-5-amine
PubChem CID66132568
Molecular FormulaC15H15ClN4
Molecular Weight286.77 g/mol
Exact Mass286.10
IUPAC Name8-chloro-N-[(3-ethylimidazol-4-yl)methyl]quinolin-5-amine
SMILESCCn1cncc1CNc1ccc(Cl)c2ncccc12
InChIInChI=1S/C15H15ClN4/c1-2-20-10-17-8-11(20)9-19-14-6-5-13(16)15-12(14)4-3-7-18-15/h3-8,10,19H,2,9H2,1H3
InChIKeyZMRGPOOQVCYSKY-UHFFFAOYSA-N
XLogP3.72
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.77
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-methyl-N-[(3-propylimidazol-4-yl)methyl]quinolin-5-amine
CID 66130149
8-chloro-N-(2,2-dimethylpropyl)quinolin-5-amine
CID 61323719
4-bromo-2,3-dichloro-N-[(3-ethylimidazol-4-yl)methyl]aniline
CID 107787455
8-chloro-N-[(2-ethylphenyl)methyl]quinolin-5-amine
CID 63445925
8-chloro-N-(1H-imidazol-5-ylmethyl)quinolin-5-amine
CID 62763903
5-chloro-N-[(1-ethylpyrazol-4-yl)methyl]quinolin-8-amine
CID 116783996
8-chloro-N-heptylquinolin-5-amine
CID 43731731
N-[(4-bromophenyl)methyl]-8-chloroquinolin-5-amine
CID 43731668
N-[(3-propylimidazol-4-yl)methyl]quinolin-8-amine
CID 66135184
N-[(3-ethylimidazol-4-yl)methyl]-2,3,4-trifluoroaniline
CID 66118850
2-ethoxy-N-[(3-ethylimidazol-4-yl)methyl]aniline
CID 66118638
2-chloro-N-[(3-ethylimidazol-4-yl)methyl]-5-nitroaniline
CID 66135647

Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-[(3-ethylimidazol-4-yl)methyl]quinolin-5-amine?
The IUPAC name of 8-chloro-N-[(3-ethylimidazol-4-yl)methyl]quinolin-5-amine (CID 66132568) is 8-chloro-N-[(3-ethylimidazol-4-yl)methyl]quinolin-5-amine.
What is the SMILES notation for 8-chloro-N-[(3-ethylimidazol-4-yl)methyl]quinolin-5-amine?
The canonical SMILES for 8-chloro-N-[(3-ethylimidazol-4-yl)methyl]quinolin-5-amine is CCn1cncc1CNc1ccc(Cl)c2ncccc12.
What is the InChIKey of 8-chloro-N-[(3-ethylimidazol-4-yl)methyl]quinolin-5-amine?
The InChIKey is ZMRGPOOQVCYSKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4/c1-2-20-10-17-8-11(20)9-19-14-6-5-13(16)15-12(14)4-3-7-18-15/h3-8,10,19H,2,9H2,1H3.
What are the key properties of 8-chloro-N-[(3-ethylimidazol-4-yl)methyl]quinolin-5-amine?
8-chloro-N-[(3-ethylimidazol-4-yl)methyl]quinolin-5-amine has a molecular weight of 286.77 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-[(3-ethylimidazol-4-yl)methyl]quinolin-5-amine is sourced from PubChem (CID 66132568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).