6-chloro-1-ethyl-N-(2-hydroxyethyl)-4-oxoquinoline-3-carboxamide

C14H15ClN2O3 — CID 30132194

IUPAC6-chloro-1-ethyl-N-(2-hydroxyethyl)-4-oxoquinoline-3-carboxamide
SMILESCCn1cc(C(=O)NCCO)c(=O)c2cc(Cl)ccc21
InChIInChI=1S/C14H15ClN2O3/c1-2-17-8-11(14(20)16-5-6-18)13(19)10-7-9(15)3-4-12(10)17/h3-4,7-8,18H,2,5-6H2,1H3,(H,16,20)
InChIKeyGCMJQGCDFKFXPZ-UHFFFAOYSA-N
MW294.74 g/mol
LogP1.40
Rot. Bonds4

About 6-chloro-1-ethyl-N-(2-hydroxyethyl)-4-oxoquinoline-3-carboxamide

6-chloro-1-ethyl-N-(2-hydroxyethyl)-4-oxoquinoline-3-carboxamide (PubChem CID 30132194) has the molecular formula C14H15ClN2O3 and a molecular weight of 294.74 g/mol. Its IUPAC name is 6-chloro-1-ethyl-N-(2-hydroxyethyl)-4-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name6-chloro-1-ethyl-N-(2-hydroxyethyl)-4-oxoquinoline-3-carboxamide
PubChem CID30132194
Molecular FormulaC14H15ClN2O3
Molecular Weight294.74 g/mol
Exact Mass294.08
IUPAC Name6-chloro-1-ethyl-N-(2-hydroxyethyl)-4-oxoquinoline-3-carboxamide
SMILESCCn1cc(C(=O)NCCO)c(=O)c2cc(Cl)ccc21
InChIInChI=1S/C14H15ClN2O3/c1-2-17-8-11(14(20)16-5-6-18)13(19)10-7-9(15)3-4-12(10)17/h3-4,7-8,18H,2,5-6H2,1H3,(H,16,20)
InChIKeyGCMJQGCDFKFXPZ-UHFFFAOYSA-N
XLogP1.40
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-1-ethyl-4-oxo-N-(2-thiophen-2-ylethyl)quinoline-3-carboxamide
CID 39851344
6-chloro-N-cycloheptyl-1-ethyl-4-oxoquinoline-3-carboxamide
CID 30132192
6-chloro-1-ethyl-4-oxo-N-(pyridin-2-ylmethyl)quinoline-3-carboxamide
CID 30132214
N-(2-bromophenyl)-6-chloro-1-ethyl-4-oxoquinoline-3-carboxamide
CID 30132224
6-chloro-1-ethyl-4-oxo-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]quinoline-3-carboxamide
CID 30463999
6-chloro-1-ethyl-N-(3-methyl-2-morpholin-4-ylbutyl)-4-oxoquinoline-3-carboxamide
CID 75472827
1-ethyl-6-methoxy-N-(2-methoxyethyl)-4-oxoquinoline-3-carboxamide
CID 30132802
6-chloro-N-cyclobutyl-1-ethyl-N-methyl-4-oxoquinoline-3-carboxamide
CID 75517462
N-[4-chloro-2-(trifluoromethyl)phenyl]-1-ethyl-6-methyl-4-oxoquinoline-3-carboxamide
CID 30132118
N-(1-amino-1-oxopent-4-yn-2-yl)-6-chloro-1-ethyl-4-oxoquinoline-3-carboxamide
CID 75505552
6-chloro-1-ethyl-4-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinoline-3-carboxamide
CID 43888733
1-ethyl-6-fluoro-N-(2-hydroxyethyl)-4-oxo-7-piperazin-1-ylquinoline-3-carboxamide
CID 10959389

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-ethyl-N-(2-hydroxyethyl)-4-oxoquinoline-3-carboxamide?
The IUPAC name of 6-chloro-1-ethyl-N-(2-hydroxyethyl)-4-oxoquinoline-3-carboxamide (CID 30132194) is 6-chloro-1-ethyl-N-(2-hydroxyethyl)-4-oxoquinoline-3-carboxamide.
What is the SMILES notation for 6-chloro-1-ethyl-N-(2-hydroxyethyl)-4-oxoquinoline-3-carboxamide?
The canonical SMILES for 6-chloro-1-ethyl-N-(2-hydroxyethyl)-4-oxoquinoline-3-carboxamide is CCn1cc(C(=O)NCCO)c(=O)c2cc(Cl)ccc21.
What is the InChIKey of 6-chloro-1-ethyl-N-(2-hydroxyethyl)-4-oxoquinoline-3-carboxamide?
The InChIKey is GCMJQGCDFKFXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3/c1-2-17-8-11(14(20)16-5-6-18)13(19)10-7-9(15)3-4-12(10)17/h3-4,7-8,18H,2,5-6H2,1H3,(H,16,20).
What are the key properties of 6-chloro-1-ethyl-N-(2-hydroxyethyl)-4-oxoquinoline-3-carboxamide?
6-chloro-1-ethyl-N-(2-hydroxyethyl)-4-oxoquinoline-3-carboxamide has a molecular weight of 294.74 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-ethyl-N-(2-hydroxyethyl)-4-oxoquinoline-3-carboxamide is sourced from PubChem (CID 30132194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).