N-[(3-chloro-4-methylquinolin-2-yl)methyl]-N-ethylazetidin-3-amine

C16H20ClN3 — CID 66184494

IUPACN-[(3-chloro-4-methylquinolin-2-yl)methyl]-N-ethylazetidin-3-amine
SMILESCCN(Cc1nc2ccccc2c(C)c1Cl)C1CNC1
InChIInChI=1S/C16H20ClN3/c1-3-20(12-8-18-9-12)10-15-16(17)11(2)13-6-4-5-7-14(13)19-15/h4-7,12,18H,3,8-10H2,1-2H3
InChIKeyUJEYXWDQHYFKSA-UHFFFAOYSA-N
MW289.81 g/mol
LogP2.99
Rot. Bonds4

About N-[(3-chloro-4-methylquinolin-2-yl)methyl]-N-ethylazetidin-3-amine

N-[(3-chloro-4-methylquinolin-2-yl)methyl]-N-ethylazetidin-3-amine (PubChem CID 66184494) has the molecular formula C16H20ClN3 and a molecular weight of 289.81 g/mol. Its IUPAC name is N-[(3-chloro-4-methylquinolin-2-yl)methyl]-N-ethylazetidin-3-amine.

Molecular Properties

Compound NameN-[(3-chloro-4-methylquinolin-2-yl)methyl]-N-ethylazetidin-3-amine
PubChem CID66184494
Molecular FormulaC16H20ClN3
Molecular Weight289.81 g/mol
Exact Mass289.13
IUPAC NameN-[(3-chloro-4-methylquinolin-2-yl)methyl]-N-ethylazetidin-3-amine
SMILESCCN(Cc1nc2ccccc2c(C)c1Cl)C1CNC1
InChIInChI=1S/C16H20ClN3/c1-3-20(12-8-18-9-12)10-15-16(17)11(2)13-6-4-5-7-14(13)19-15/h4-7,12,18H,3,8-10H2,1-2H3
InChIKeyUJEYXWDQHYFKSA-UHFFFAOYSA-N
XLogP2.99
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-methylquinolin-2-yl)methyl]-N-ethylazetidin-3-amine?
The IUPAC name of N-[(3-chloro-4-methylquinolin-2-yl)methyl]-N-ethylazetidin-3-amine (CID 66184494) is N-[(3-chloro-4-methylquinolin-2-yl)methyl]-N-ethylazetidin-3-amine.
What is the SMILES notation for N-[(3-chloro-4-methylquinolin-2-yl)methyl]-N-ethylazetidin-3-amine?
The canonical SMILES for N-[(3-chloro-4-methylquinolin-2-yl)methyl]-N-ethylazetidin-3-amine is CCN(Cc1nc2ccccc2c(C)c1Cl)C1CNC1.
What is the InChIKey of N-[(3-chloro-4-methylquinolin-2-yl)methyl]-N-ethylazetidin-3-amine?
The InChIKey is UJEYXWDQHYFKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3/c1-3-20(12-8-18-9-12)10-15-16(17)11(2)13-6-4-5-7-14(13)19-15/h4-7,12,18H,3,8-10H2,1-2H3.
What are the key properties of N-[(3-chloro-4-methylquinolin-2-yl)methyl]-N-ethylazetidin-3-amine?
N-[(3-chloro-4-methylquinolin-2-yl)methyl]-N-ethylazetidin-3-amine has a molecular weight of 289.81 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-methylquinolin-2-yl)methyl]-N-ethylazetidin-3-amine is sourced from PubChem (CID 66184494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).