6-oxo-N-(4-quinolin-6-yloxycyclohexyl)pyran-3-carboxamide

C21H20N2O4 — CID 176505850

IUPAC6-oxo-N-(4-quinolin-6-yloxycyclohexyl)pyran-3-carboxamide
SMILESO=C(NC1CCC(Oc2ccc3ncccc3c2)CC1)c1ccc(=O)oc1
InChIInChI=1S/C21H20N2O4/c24-20-10-3-15(13-26-20)21(25)23-16-4-6-17(7-5-16)27-18-8-9-19-14(12-18)2-1-11-22-19/h1-3,8-13,16-17H,4-7H2,(H,23,25)
InChIKeyPADFMMFQUJTITB-UHFFFAOYSA-N
MW364.40 g/mol
LogP3.31
Rot. Bonds4

About 6-oxo-N-(4-quinolin-6-yloxycyclohexyl)pyran-3-carboxamide

6-oxo-N-(4-quinolin-6-yloxycyclohexyl)pyran-3-carboxamide (PubChem CID 176505850) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is 6-oxo-N-(4-quinolin-6-yloxycyclohexyl)pyran-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-(4-quinolin-6-yloxycyclohexyl)pyran-3-carboxamide
PubChem CID176505850
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC Name6-oxo-N-(4-quinolin-6-yloxycyclohexyl)pyran-3-carboxamide
SMILESO=C(NC1CCC(Oc2ccc3ncccc3c2)CC1)c1ccc(=O)oc1
InChIInChI=1S/C21H20N2O4/c24-20-10-3-15(13-26-20)21(25)23-16-4-6-17(7-5-16)27-18-8-9-19-14(12-18)2-1-11-22-19/h1-3,8-13,16-17H,4-7H2,(H,23,25)
InChIKeyPADFMMFQUJTITB-UHFFFAOYSA-N
XLogP3.31
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dimethyl-N-(4-quinolin-6-yloxycyclohexyl)-1,2-oxazole-4-carboxamide
CID 175642486
N-(4-pyrimidin-2-yloxycyclohexyl)naphthalene-2-carboxamide
CID 90633284
N-(4-methylcyclohexyl)quinoline-6-carboxamide
CID 22136406
4-quinolin-6-yloxycyclohexan-1-amine
CID 83719875
N-(4-aminocyclohexyl)-6-oxopyran-3-carboxamide
CID 79113506
N-[(3S)-pyrrolidin-3-yl]quinoline-6-carboxamide
CID 79688925
N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]quinoline-6-carboxamide
CID 118063587
N-[4-[(7-morpholin-4-yl-1,6-naphthyridin-5-yl)oxy]cyclohexyl]pyridine-3-carboxamide
CID 165112973
N-[4-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]cyclohexyl]quinoline-6-carboxamide
CID 169421424
N-(3,3-dimethylcyclopentyl)quinoline-6-carboxamide
CID 115881808
N-[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]pyridine-3-carboxamide
CID 156673154
4-fluoro-N-[4-[(7-morpholin-4-yl-1,6-naphthyridin-5-yl)oxy]cyclohexyl]benzamide
CID 165112983

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-(4-quinolin-6-yloxycyclohexyl)pyran-3-carboxamide?
The IUPAC name of 6-oxo-N-(4-quinolin-6-yloxycyclohexyl)pyran-3-carboxamide (CID 176505850) is 6-oxo-N-(4-quinolin-6-yloxycyclohexyl)pyran-3-carboxamide.
What is the SMILES notation for 6-oxo-N-(4-quinolin-6-yloxycyclohexyl)pyran-3-carboxamide?
The canonical SMILES for 6-oxo-N-(4-quinolin-6-yloxycyclohexyl)pyran-3-carboxamide is O=C(NC1CCC(Oc2ccc3ncccc3c2)CC1)c1ccc(=O)oc1.
What is the InChIKey of 6-oxo-N-(4-quinolin-6-yloxycyclohexyl)pyran-3-carboxamide?
The InChIKey is PADFMMFQUJTITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4/c24-20-10-3-15(13-26-20)21(25)23-16-4-6-17(7-5-16)27-18-8-9-19-14(12-18)2-1-11-22-19/h1-3,8-13,16-17H,4-7H2,(H,23,25).
What are the key properties of 6-oxo-N-(4-quinolin-6-yloxycyclohexyl)pyran-3-carboxamide?
6-oxo-N-(4-quinolin-6-yloxycyclohexyl)pyran-3-carboxamide has a molecular weight of 364.40 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-(4-quinolin-6-yloxycyclohexyl)pyran-3-carboxamide is sourced from PubChem (CID 176505850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).