N-[(5-chloroquinolin-8-yl)methyl]-2-cyclopropyloxolan-3-amine

C17H19ClN2O — CID 103580673

IUPACN-[(5-chloroquinolin-8-yl)methyl]-2-cyclopropyloxolan-3-amine
SMILESClc1ccc(CNC2CCOC2C2CC2)c2ncccc12
InChIInChI=1S/C17H19ClN2O/c18-14-6-5-12(16-13(14)2-1-8-19-16)10-20-15-7-9-21-17(15)11-3-4-11/h1-2,5-6,8,11,15,17,20H,3-4,7,9-10H2
InChIKeyDAXTZQXWRHLQBC-UHFFFAOYSA-N
MW302.80 g/mol
LogP3.55
Rot. Bonds4

About N-[(5-chloroquinolin-8-yl)methyl]-2-cyclopropyloxolan-3-amine

N-[(5-chloroquinolin-8-yl)methyl]-2-cyclopropyloxolan-3-amine (PubChem CID 103580673) has the molecular formula C17H19ClN2O and a molecular weight of 302.80 g/mol. Its IUPAC name is N-[(5-chloroquinolin-8-yl)methyl]-2-cyclopropyloxolan-3-amine.

Molecular Properties

Compound NameN-[(5-chloroquinolin-8-yl)methyl]-2-cyclopropyloxolan-3-amine
PubChem CID103580673
Molecular FormulaC17H19ClN2O
Molecular Weight302.80 g/mol
Exact Mass302.12
IUPAC NameN-[(5-chloroquinolin-8-yl)methyl]-2-cyclopropyloxolan-3-amine
SMILESClc1ccc(CNC2CCOC2C2CC2)c2ncccc12
InChIInChI=1S/C17H19ClN2O/c18-14-6-5-12(16-13(14)2-1-8-19-16)10-20-15-7-9-21-17(15)11-3-4-11/h1-2,5-6,8,11,15,17,20H,3-4,7,9-10H2
InChIKeyDAXTZQXWRHLQBC-UHFFFAOYSA-N
XLogP3.55
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.80
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-chloroquinolin-8-yl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 115697528
N-[(5-chloroquinolin-8-yl)methyl]-2-methylcyclohexan-1-amine
CID 115958999
N-[(5-chloroquinolin-8-yl)methyl]-2-ethylcyclopropan-1-amine
CID 103765936
N-[(5-chloroquinolin-8-yl)methyl]-2,2-dimethyloxan-4-amine
CID 115764370
2-cyclopropyl-N-[(3-methyl-2-pyridinyl)methyl]oxolan-3-amine
CID 113384129
(5-chloroquinolin-8-yl)methylhydrazine
CID 112617928
N-[(5-chloroquinolin-8-yl)methyl]-2,3-dimethyloxolan-3-amine
CID 103581109
N-[(5-chloroquinolin-8-yl)methyl]-2-[[(2S)-oxolan-2-yl]methoxy]ethanamine
CID 97079648
2-cyclopropyl-N-[(2-fluorophenyl)methyl]oxolan-3-amine
CID 103864475
1-(5-chloroquinolin-8-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 115697268
1-(5-chloroquinolin-8-yl)-N-ethoxymethanamine
CID 112686388
2-methyl-N-(quinolin-8-ylmethyl)oxolan-3-amine
CID 115337151

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloroquinolin-8-yl)methyl]-2-cyclopropyloxolan-3-amine?
The IUPAC name of N-[(5-chloroquinolin-8-yl)methyl]-2-cyclopropyloxolan-3-amine (CID 103580673) is N-[(5-chloroquinolin-8-yl)methyl]-2-cyclopropyloxolan-3-amine.
What is the SMILES notation for N-[(5-chloroquinolin-8-yl)methyl]-2-cyclopropyloxolan-3-amine?
The canonical SMILES for N-[(5-chloroquinolin-8-yl)methyl]-2-cyclopropyloxolan-3-amine is Clc1ccc(CNC2CCOC2C2CC2)c2ncccc12.
What is the InChIKey of N-[(5-chloroquinolin-8-yl)methyl]-2-cyclopropyloxolan-3-amine?
The InChIKey is DAXTZQXWRHLQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c18-14-6-5-12(16-13(14)2-1-8-19-16)10-20-15-7-9-21-17(15)11-3-4-11/h1-2,5-6,8,11,15,17,20H,3-4,7,9-10H2.
What are the key properties of N-[(5-chloroquinolin-8-yl)methyl]-2-cyclopropyloxolan-3-amine?
N-[(5-chloroquinolin-8-yl)methyl]-2-cyclopropyloxolan-3-amine has a molecular weight of 302.80 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloroquinolin-8-yl)methyl]-2-cyclopropyloxolan-3-amine is sourced from PubChem (CID 103580673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).