1-(3-hydroxypropyl)-N-(4-methylcyclohexyl)-2-oxoquinoline-3-carboxamide

C20H26N2O3 — CID 118735889

IUPAC1-(3-hydroxypropyl)-N-(4-methylcyclohexyl)-2-oxoquinoline-3-carboxamide
SMILESCC1CCC(NC(=O)c2cc3ccccc3n(CCCO)c2=O)CC1
InChIInChI=1S/C20H26N2O3/c1-14-7-9-16(10-8-14)21-19(24)17-13-15-5-2-3-6-18(15)22(20(17)25)11-4-12-23/h2-3,5-6,13-14,16,23H,4,7-12H2,1H3,(H,21,24)
InChIKeyCAWKIUQGAAELLD-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.69
Rot. Bonds5

About 1-(3-hydroxypropyl)-N-(4-methylcyclohexyl)-2-oxoquinoline-3-carboxamide

1-(3-hydroxypropyl)-N-(4-methylcyclohexyl)-2-oxoquinoline-3-carboxamide (PubChem CID 118735889) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-(3-hydroxypropyl)-N-(4-methylcyclohexyl)-2-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name1-(3-hydroxypropyl)-N-(4-methylcyclohexyl)-2-oxoquinoline-3-carboxamide
PubChem CID118735889
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name1-(3-hydroxypropyl)-N-(4-methylcyclohexyl)-2-oxoquinoline-3-carboxamide
SMILESCC1CCC(NC(=O)c2cc3ccccc3n(CCCO)c2=O)CC1
InChIInChI=1S/C20H26N2O3/c1-14-7-9-16(10-8-14)21-19(24)17-13-15-5-2-3-6-18(15)22(20(17)25)11-4-12-23/h2-3,5-6,13-14,16,23H,4,7-12H2,1H3,(H,21,24)
InChIKeyCAWKIUQGAAELLD-UHFFFAOYSA-N
XLogP2.69
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypropyl)-N-(4-methylcyclohexyl)-2-oxoquinoline-3-carboxamide?
The IUPAC name of 1-(3-hydroxypropyl)-N-(4-methylcyclohexyl)-2-oxoquinoline-3-carboxamide (CID 118735889) is 1-(3-hydroxypropyl)-N-(4-methylcyclohexyl)-2-oxoquinoline-3-carboxamide.
What is the SMILES notation for 1-(3-hydroxypropyl)-N-(4-methylcyclohexyl)-2-oxoquinoline-3-carboxamide?
The canonical SMILES for 1-(3-hydroxypropyl)-N-(4-methylcyclohexyl)-2-oxoquinoline-3-carboxamide is CC1CCC(NC(=O)c2cc3ccccc3n(CCCO)c2=O)CC1.
What is the InChIKey of 1-(3-hydroxypropyl)-N-(4-methylcyclohexyl)-2-oxoquinoline-3-carboxamide?
The InChIKey is CAWKIUQGAAELLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-14-7-9-16(10-8-14)21-19(24)17-13-15-5-2-3-6-18(15)22(20(17)25)11-4-12-23/h2-3,5-6,13-14,16,23H,4,7-12H2,1H3,(H,21,24).
What are the key properties of 1-(3-hydroxypropyl)-N-(4-methylcyclohexyl)-2-oxoquinoline-3-carboxamide?
1-(3-hydroxypropyl)-N-(4-methylcyclohexyl)-2-oxoquinoline-3-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypropyl)-N-(4-methylcyclohexyl)-2-oxoquinoline-3-carboxamide is sourced from PubChem (CID 118735889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).