N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-2-oxoquinoline-3-carboxamide

C23H31N3O3 — CID 118735885

IUPACN-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-2-oxoquinoline-3-carboxamide
SMILESCC1CCC(NC(=O)c2cc3ccccc3n(CCN3CCOCC3)c2=O)CC1
InChIInChI=1S/C23H31N3O3/c1-17-6-8-19(9-7-17)24-22(27)20-16-18-4-2-3-5-21(18)26(23(20)28)11-10-25-12-14-29-15-13-25/h2-5,16-17,19H,6-15H2,1H3,(H,24,27)
InChIKeyKBIHNOMRXOXFIV-UHFFFAOYSA-N
MW397.52 g/mol
LogP2.64
Rot. Bonds5

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

N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-2-oxoquinoline-3-carboxamide (PubChem CID 118735885) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-2-oxoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-2-oxoquinoline-3-carboxamide
PubChem CID118735885
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC NameN-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-2-oxoquinoline-3-carboxamide
SMILESCC1CCC(NC(=O)c2cc3ccccc3n(CCN3CCOCC3)c2=O)CC1
InChIInChI=1S/C23H31N3O3/c1-17-6-8-19(9-7-17)24-22(27)20-16-18-4-2-3-5-21(18)26(23(20)28)11-10-25-12-14-29-15-13-25/h2-5,16-17,19H,6-15H2,1H3,(H,24,27)
InChIKeyKBIHNOMRXOXFIV-UHFFFAOYSA-N
XLogP2.64
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-2-oxoquinoline-3-carboxamide?
The IUPAC name of N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-2-oxoquinoline-3-carboxamide (CID 118735885) is N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-2-oxoquinoline-3-carboxamide.
What is the SMILES notation for N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-2-oxoquinoline-3-carboxamide?
The canonical SMILES for N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-2-oxoquinoline-3-carboxamide is CC1CCC(NC(=O)c2cc3ccccc3n(CCN3CCOCC3)c2=O)CC1.
What is the InChIKey of N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-2-oxoquinoline-3-carboxamide?
The InChIKey is KBIHNOMRXOXFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3/c1-17-6-8-19(9-7-17)24-22(27)20-16-18-4-2-3-5-21(18)26(23(20)28)11-10-25-12-14-29-15-13-25/h2-5,16-17,19H,6-15H2,1H3,(H,24,27).
What are the key properties of N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-2-oxoquinoline-3-carboxamide?
N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-2-oxoquinoline-3-carboxamide has a molecular weight of 397.52 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-2-oxoquinoline-3-carboxamide is sourced from PubChem (CID 118735885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).