1-[(3-chloro-4-methylquinolin-2-yl)methyl]azetidin-3-amine

C14H16ClN3 — CID 65250174

IUPAC1-[(3-chloro-4-methylquinolin-2-yl)methyl]azetidin-3-amine
SMILESCc1c(Cl)c(CN2CC(N)C2)nc2ccccc12
InChIInChI=1S/C14H16ClN3/c1-9-11-4-2-3-5-12(11)17-13(14(9)15)8-18-6-10(16)7-18/h2-5,10H,6-8,16H2,1H3
InChIKeyPKASVGSHUDKLFG-UHFFFAOYSA-N
MW261.76 g/mol
LogP2.34
Rot. Bonds2

About 1-[(3-chloro-4-methylquinolin-2-yl)methyl]azetidin-3-amine

1-[(3-chloro-4-methylquinolin-2-yl)methyl]azetidin-3-amine (PubChem CID 65250174) has the molecular formula C14H16ClN3 and a molecular weight of 261.76 g/mol. Its IUPAC name is 1-[(3-chloro-4-methylquinolin-2-yl)methyl]azetidin-3-amine.

Molecular Properties

Compound Name1-[(3-chloro-4-methylquinolin-2-yl)methyl]azetidin-3-amine
PubChem CID65250174
Molecular FormulaC14H16ClN3
Molecular Weight261.76 g/mol
Exact Mass261.10
IUPAC Name1-[(3-chloro-4-methylquinolin-2-yl)methyl]azetidin-3-amine
SMILESCc1c(Cl)c(CN2CC(N)C2)nc2ccccc12
InChIInChI=1S/C14H16ClN3/c1-9-11-4-2-3-5-12(11)17-13(14(9)15)8-18-6-10(16)7-18/h2-5,10H,6-8,16H2,1H3
InChIKeyPKASVGSHUDKLFG-UHFFFAOYSA-N
XLogP2.34
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.76
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[(3-chloro-4-methylquinolin-2-yl)methyl]pyrrolidin-3-amine
CID 81492580
3-chloro-4-methyl-2-[(3-methylpiperazin-1-yl)methyl]quinoline;dihydrochloride
CID 119924677
(3S)-1-[(3-chloro-4-methylquinolin-2-yl)methyl]piperidine-3-carboxylic acid
CID 124694319
tert-butyl N-[[1-[(3-chloro-4-methylquinolin-2-yl)methyl]piperidin-3-yl]methyl]carbamate
CID 60587914
3-chloro-2-[[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-4-methylquinoline
CID 29115495
[4-[(3-chloro-4-methylquinolin-2-yl)methyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 18129591
2-[[4-(2-bromoethyl)triazol-1-yl]methyl]-3-chloro-4-methylquinoline
CID 62395316
N-[(3-chloro-4-methylquinolin-2-yl)methyl]-N-ethylazetidin-3-amine
CID 66184494
(3-chloro-4-methylquinolin-2-yl)methyl N'-aminocarbamimidothioate
CID 77060620
methyl 2-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]-4-methylquinoline-3-carboxylate
CID 8540042
1-(quinolin-2-ylmethyl)azetidin-3-amine
CID 63760715
2-[(3-chloro-4-methylquinolin-2-yl)methyl-methylamino]-1-cyclopropylethanol
CID 111858903

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-4-methylquinolin-2-yl)methyl]azetidin-3-amine?
The IUPAC name of 1-[(3-chloro-4-methylquinolin-2-yl)methyl]azetidin-3-amine (CID 65250174) is 1-[(3-chloro-4-methylquinolin-2-yl)methyl]azetidin-3-amine.
What is the SMILES notation for 1-[(3-chloro-4-methylquinolin-2-yl)methyl]azetidin-3-amine?
The canonical SMILES for 1-[(3-chloro-4-methylquinolin-2-yl)methyl]azetidin-3-amine is Cc1c(Cl)c(CN2CC(N)C2)nc2ccccc12.
What is the InChIKey of 1-[(3-chloro-4-methylquinolin-2-yl)methyl]azetidin-3-amine?
The InChIKey is PKASVGSHUDKLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3/c1-9-11-4-2-3-5-12(11)17-13(14(9)15)8-18-6-10(16)7-18/h2-5,10H,6-8,16H2,1H3.
What are the key properties of 1-[(3-chloro-4-methylquinolin-2-yl)methyl]azetidin-3-amine?
1-[(3-chloro-4-methylquinolin-2-yl)methyl]azetidin-3-amine has a molecular weight of 261.76 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-4-methylquinolin-2-yl)methyl]azetidin-3-amine is sourced from PubChem (CID 65250174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).