6-chloro-N-[3-(2-hydroxyethoxy)propyl]quinoline-8-carboxamide

C15H17ClN2O3 — CID 110022221

IUPAC6-chloro-N-[3-(2-hydroxyethoxy)propyl]quinoline-8-carboxamide
SMILESO=C(NCCCOCCO)c1cc(Cl)cc2cccnc12
InChIInChI=1S/C15H17ClN2O3/c16-12-9-11-3-1-4-17-14(11)13(10-12)15(20)18-5-2-7-21-8-6-19/h1,3-4,9-10,19H,2,5-8H2,(H,18,20)
InChIKeyWHKZYELCMAEGBM-UHFFFAOYSA-N
MW308.76 g/mol
LogP2.02
Rot. Bonds7

About 6-chloro-N-[3-(2-hydroxyethoxy)propyl]quinoline-8-carboxamide

6-chloro-N-[3-(2-hydroxyethoxy)propyl]quinoline-8-carboxamide (PubChem CID 110022221) has the molecular formula C15H17ClN2O3 and a molecular weight of 308.76 g/mol. Its IUPAC name is 6-chloro-N-[3-(2-hydroxyethoxy)propyl]quinoline-8-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[3-(2-hydroxyethoxy)propyl]quinoline-8-carboxamide
PubChem CID110022221
Molecular FormulaC15H17ClN2O3
Molecular Weight308.76 g/mol
Exact Mass308.09
IUPAC Name6-chloro-N-[3-(2-hydroxyethoxy)propyl]quinoline-8-carboxamide
SMILESO=C(NCCCOCCO)c1cc(Cl)cc2cccnc12
InChIInChI=1S/C15H17ClN2O3/c16-12-9-11-3-1-4-17-14(11)13(10-12)15(20)18-5-2-7-21-8-6-19/h1,3-4,9-10,19H,2,5-8H2,(H,18,20)
InChIKeyWHKZYELCMAEGBM-UHFFFAOYSA-N
XLogP2.02
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.76
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N-[[3-(2-methoxyethoxy)phenyl]methyl]quinoline-8-carboxamide
CID 55881590
2,6-dichloro-N-[3-(2-hydroxyethoxy)propyl]pyridine-4-carboxamide
CID 110024020
N-(8-azabicyclo[3.2.1]octan-3-yl)-6-chloroquinoline-8-carboxamide
CID 119455967
6-chloro-N-piperidin-4-ylquinoline-8-carboxamide
CID 119386656
6-methoxy-N-(2-methoxyethyl)quinoline-8-carboxamide
CID 175792430
N-(4-aminocyclohexyl)-6-chloroquinoline-8-carboxamide;dihydrochloride
CID 119475262
6-chloro-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]quinoline-8-carboxamide
CID 56781980
3,6-dichloro-N-[3-(2-hydroxyethoxy)propyl]pyridine-2-carboxamide
CID 113365346
N-[3-(2-hydroxyethoxy)propyl]-2-phenylbenzamide
CID 110022367
2-amino-3-chloro-N-[3-(2-hydroxyethoxy)propyl]benzamide
CID 106308339
N-[3-(furan-2-ylmethoxy)propyl]quinoline-8-carboxamide
CID 51296890
6-chloro-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]quinoline-8-carboxamide
CID 55912973

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[3-(2-hydroxyethoxy)propyl]quinoline-8-carboxamide?
The IUPAC name of 6-chloro-N-[3-(2-hydroxyethoxy)propyl]quinoline-8-carboxamide (CID 110022221) is 6-chloro-N-[3-(2-hydroxyethoxy)propyl]quinoline-8-carboxamide.
What is the SMILES notation for 6-chloro-N-[3-(2-hydroxyethoxy)propyl]quinoline-8-carboxamide?
The canonical SMILES for 6-chloro-N-[3-(2-hydroxyethoxy)propyl]quinoline-8-carboxamide is O=C(NCCCOCCO)c1cc(Cl)cc2cccnc12.
What is the InChIKey of 6-chloro-N-[3-(2-hydroxyethoxy)propyl]quinoline-8-carboxamide?
The InChIKey is WHKZYELCMAEGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O3/c16-12-9-11-3-1-4-17-14(11)13(10-12)15(20)18-5-2-7-21-8-6-19/h1,3-4,9-10,19H,2,5-8H2,(H,18,20).
What are the key properties of 6-chloro-N-[3-(2-hydroxyethoxy)propyl]quinoline-8-carboxamide?
6-chloro-N-[3-(2-hydroxyethoxy)propyl]quinoline-8-carboxamide has a molecular weight of 308.76 g/mol, XLogP of 2.02, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[3-(2-hydroxyethoxy)propyl]quinoline-8-carboxamide is sourced from PubChem (CID 110022221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).