[4-chloro-2-(hydroxymethyl)quinolin-6-yl]-morpholin-4-ylmethanone

C15H15ClN2O3 — CID 167445629

IUPAC[4-chloro-2-(hydroxymethyl)quinolin-6-yl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc2nc(CO)cc(Cl)c2c1)N1CCOCC1
InChIInChI=1S/C15H15ClN2O3/c16-13-8-11(9-19)17-14-2-1-10(7-12(13)14)15(20)18-3-5-21-6-4-18/h1-2,7-8,19H,3-6,9H2
InChIKeyPIANHSBFMBWALH-UHFFFAOYSA-N
MW306.75 g/mol
LogP1.85
Rot. Bonds2

About [4-chloro-2-(hydroxymethyl)quinolin-6-yl]-morpholin-4-ylmethanone

[4-chloro-2-(hydroxymethyl)quinolin-6-yl]-morpholin-4-ylmethanone (PubChem CID 167445629) has the molecular formula C15H15ClN2O3 and a molecular weight of 306.75 g/mol. Its IUPAC name is [4-chloro-2-(hydroxymethyl)quinolin-6-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-chloro-2-(hydroxymethyl)quinolin-6-yl]-morpholin-4-ylmethanone
PubChem CID167445629
Molecular FormulaC15H15ClN2O3
Molecular Weight306.75 g/mol
Exact Mass306.08
IUPAC Name[4-chloro-2-(hydroxymethyl)quinolin-6-yl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc2nc(CO)cc(Cl)c2c1)N1CCOCC1
InChIInChI=1S/C15H15ClN2O3/c16-13-8-11(9-19)17-14-2-1-10(7-12(13)14)15(20)18-3-5-21-6-4-18/h1-2,7-8,19H,3-6,9H2
InChIKeyPIANHSBFMBWALH-UHFFFAOYSA-N
XLogP1.85
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-chloro-2-(hydroxymethyl)quinolin-6-yl]-morpholin-4-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-chloro-3-phenylphenyl)-morpholin-4-ylmethanone
CID 110675198
[4-(hydroxymethyl)phenyl]-morpholin-4-ylmethanone
CID 60635795
[2-[4-(morpholine-4-carbonyl)-2-pyridinyl]-4-pyridinyl]-morpholin-4-ylmethanone
CID 171623322
2-methoxy-6-(morpholine-4-carbonyl)quinoline-4-carbonitrile
CID 177077639
2-methoxy-6-(morpholine-4-carbonyl)quinoline-4-carboxamide
CID 177077740
(4-butoxy-2-methoxyquinolin-6-yl)-morpholin-4-ylmethanone
CID 177077600
1-[4-[2-methoxy-6-(morpholine-4-carbonyl)quinolin-4-yl]piperazin-1-yl]ethanone
CID 177077574
(4-chloro-3-morpholin-4-ylsulfonylphenyl)-morpholin-4-ylmethanone
CID 1087746
(4-chloro-3-methylsulfonylphenyl)-morpholin-4-ylmethanone
CID 26583462
[3-(morpholine-4-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109051623
(4-azido-2-methoxyquinolin-6-yl)-morpholin-4-ylmethanone
CID 177077562
2-hydroxy-5-(morpholine-4-carbonyl)benzoic acid
CID 123499675

Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-(hydroxymethyl)quinolin-6-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-chloro-2-(hydroxymethyl)quinolin-6-yl]-morpholin-4-ylmethanone (CID 167445629) is [4-chloro-2-(hydroxymethyl)quinolin-6-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-chloro-2-(hydroxymethyl)quinolin-6-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-chloro-2-(hydroxymethyl)quinolin-6-yl]-morpholin-4-ylmethanone is O=C(c1ccc2nc(CO)cc(Cl)c2c1)N1CCOCC1.
What is the InChIKey of [4-chloro-2-(hydroxymethyl)quinolin-6-yl]-morpholin-4-ylmethanone?
The InChIKey is PIANHSBFMBWALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3/c16-13-8-11(9-19)17-14-2-1-10(7-12(13)14)15(20)18-3-5-21-6-4-18/h1-2,7-8,19H,3-6,9H2.
What are the key properties of [4-chloro-2-(hydroxymethyl)quinolin-6-yl]-morpholin-4-ylmethanone?
[4-chloro-2-(hydroxymethyl)quinolin-6-yl]-morpholin-4-ylmethanone has a molecular weight of 306.75 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-(hydroxymethyl)quinolin-6-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 167445629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).