N-[(5-chloroquinolin-8-yl)methyl]-2-[[(2S)-oxolan-2-yl]methoxy]ethanamine

C17H21ClN2O2 — CID 97079648

IUPACN-[(5-chloroquinolin-8-yl)methyl]-2-[[(2S)-oxolan-2-yl]methoxy]ethanamine
SMILESClc1ccc(CNCCOC[C@@H]2CCCO2)c2ncccc12
InChIInChI=1S/C17H21ClN2O2/c18-16-6-5-13(17-15(16)4-1-7-20-17)11-19-8-10-21-12-14-3-2-9-22-14/h1,4-7,14,19H,2-3,8-12H2/t14-/m0/s1
InChIKeyMPHNTFYRTLXRBH-AWEZNQCLSA-N
MW320.82 g/mol
LogP3.17
Rot. Bonds7

About N-[(5-chloroquinolin-8-yl)methyl]-2-[[(2S)-oxolan-2-yl]methoxy]ethanamine

N-[(5-chloroquinolin-8-yl)methyl]-2-[[(2S)-oxolan-2-yl]methoxy]ethanamine (PubChem CID 97079648) has the molecular formula C17H21ClN2O2 and a molecular weight of 320.82 g/mol. Its IUPAC name is N-[(5-chloroquinolin-8-yl)methyl]-2-[[(2S)-oxolan-2-yl]methoxy]ethanamine.

Molecular Properties

Compound NameN-[(5-chloroquinolin-8-yl)methyl]-2-[[(2S)-oxolan-2-yl]methoxy]ethanamine
PubChem CID97079648
Molecular FormulaC17H21ClN2O2
Molecular Weight320.82 g/mol
Exact Mass320.13
IUPAC NameN-[(5-chloroquinolin-8-yl)methyl]-2-[[(2S)-oxolan-2-yl]methoxy]ethanamine
SMILESClc1ccc(CNCCOC[C@@H]2CCCO2)c2ncccc12
InChIInChI=1S/C17H21ClN2O2/c18-16-6-5-13(17-15(16)4-1-7-20-17)11-19-8-10-21-12-14-3-2-9-22-14/h1,4-7,14,19H,2-3,8-12H2/t14-/m0/s1
InChIKeyMPHNTFYRTLXRBH-AWEZNQCLSA-N
XLogP3.17
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(5-chloroquinolin-8-yl)methyl]-2-[[(2S)-oxolan-2-yl]methoxy]ethanamine with MolForge

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Related Compounds

N-[(2-chlorophenyl)methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 43182486
N-[(5-bromoquinolin-8-yl)methyl]-2-(oxolan-2-yl)ethanamine
CID 115959209
N-[(5-chloroquinolin-8-yl)methyl]-2-(3-methylbutoxy)ethanamine
CID 115697403
N-[(2,4-dichlorophenyl)methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 43081326
N-[(4-bromo-2-chlorophenyl)methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 115651725
2-[(5-chloroquinolin-8-yl)methylamino]ethyl carbamate
CID 112617841
2-(oxolan-2-ylmethoxy)-N-(thiophen-2-ylmethyl)ethanamine
CID 62572494
3-iodo-N-[2-[[(2R)-oxolan-2-yl]methoxy]ethyl]pyridin-2-amine
CID 97215805
N-(1H-imidazol-2-ylmethyl)-2-(oxolan-2-ylmethoxy)ethanamine
CID 115629596
N-[(5-chloroquinolin-8-yl)methyl]-2-cyclopropyloxolan-3-amine
CID 103580673
N-[(5-chloroquinolin-8-yl)methyl]-2-pyridin-4-ylethanamine
CID 115702813
N-[(2-cyclopropylphenyl)methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 79883823

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloroquinolin-8-yl)methyl]-2-[[(2S)-oxolan-2-yl]methoxy]ethanamine?
The IUPAC name of N-[(5-chloroquinolin-8-yl)methyl]-2-[[(2S)-oxolan-2-yl]methoxy]ethanamine (CID 97079648) is N-[(5-chloroquinolin-8-yl)methyl]-2-[[(2S)-oxolan-2-yl]methoxy]ethanamine.
What is the SMILES notation for N-[(5-chloroquinolin-8-yl)methyl]-2-[[(2S)-oxolan-2-yl]methoxy]ethanamine?
The canonical SMILES for N-[(5-chloroquinolin-8-yl)methyl]-2-[[(2S)-oxolan-2-yl]methoxy]ethanamine is Clc1ccc(CNCCOC[C@@H]2CCCO2)c2ncccc12.
What is the InChIKey of N-[(5-chloroquinolin-8-yl)methyl]-2-[[(2S)-oxolan-2-yl]methoxy]ethanamine?
The InChIKey is MPHNTFYRTLXRBH-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H21ClN2O2/c18-16-6-5-13(17-15(16)4-1-7-20-17)11-19-8-10-21-12-14-3-2-9-22-14/h1,4-7,14,19H,2-3,8-12H2/t14-/m0/s1.
What are the key properties of N-[(5-chloroquinolin-8-yl)methyl]-2-[[(2S)-oxolan-2-yl]methoxy]ethanamine?
N-[(5-chloroquinolin-8-yl)methyl]-2-[[(2S)-oxolan-2-yl]methoxy]ethanamine has a molecular weight of 320.82 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloroquinolin-8-yl)methyl]-2-[[(2S)-oxolan-2-yl]methoxy]ethanamine is sourced from PubChem (CID 97079648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).