1-benzyl-N-[(4-methoxy-1-methylcyclohexyl)methyl]-4-oxoquinoline-3-carboxamide

C26H30N2O3 — CID 155949410

IUPAC1-benzyl-N-[(4-methoxy-1-methylcyclohexyl)methyl]-4-oxoquinoline-3-carboxamide
SMILESCOC1CCC(C)(CNC(=O)c2cn(Cc3ccccc3)c3ccccc3c2=O)CC1
InChIInChI=1S/C26H30N2O3/c1-26(14-12-20(31-2)13-15-26)18-27-25(30)22-17-28(16-19-8-4-3-5-9-19)23-11-7-6-10-21(23)24(22)29/h3-11,17,20H,12-16,18H2,1-2H3,(H,27,30)
InChIKeyOPQDUGNCOHKGCO-UHFFFAOYSA-N
MW418.54 g/mol
LogP4.37
Rot. Bonds6

About 1-benzyl-N-[(4-methoxy-1-methylcyclohexyl)methyl]-4-oxoquinoline-3-carboxamide

1-benzyl-N-[(4-methoxy-1-methylcyclohexyl)methyl]-4-oxoquinoline-3-carboxamide (PubChem CID 155949410) has the molecular formula C26H30N2O3 and a molecular weight of 418.54 g/mol. Its IUPAC name is 1-benzyl-N-[(4-methoxy-1-methylcyclohexyl)methyl]-4-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[(4-methoxy-1-methylcyclohexyl)methyl]-4-oxoquinoline-3-carboxamide
PubChem CID155949410
Molecular FormulaC26H30N2O3
Molecular Weight418.54 g/mol
Exact Mass418.23
IUPAC Name1-benzyl-N-[(4-methoxy-1-methylcyclohexyl)methyl]-4-oxoquinoline-3-carboxamide
SMILESCOC1CCC(C)(CNC(=O)c2cn(Cc3ccccc3)c3ccccc3c2=O)CC1
InChIInChI=1S/C26H30N2O3/c1-26(14-12-20(31-2)13-15-26)18-27-25(30)22-17-28(16-19-8-4-3-5-9-19)23-11-7-6-10-21(23)24(22)29/h3-11,17,20H,12-16,18H2,1-2H3,(H,27,30)
InChIKeyOPQDUGNCOHKGCO-UHFFFAOYSA-N
XLogP4.37
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-benzyl-N-[(4-methoxy-1-methylcyclohexyl)methyl]-4-oxoquinoline-3-carboxamide with MolForge

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Related Compounds

1-benzyl-N-[(2R)-2-hydroxypropyl]-4-oxoquinoline-3-carboxamide
CID 97243081
N-cyclohexyl-1-[(4-methoxyphenyl)methyl]-4-oxoquinoline-3-carboxamide
CID 71462946
1-benzyl-N-[(2R)-1-hydroxypropan-2-yl]-4-oxoquinoline-3-carboxamide
CID 97329350
1-benzyl-N-propylindole-3-carboxamide
CID 24654500
4-[(3-acetyl-4-oxoquinolin-1-yl)methyl]benzoic acid
CID 122188097
1-benzyl-N-prop-2-ynylindole-3-carboxamide
CID 32985636
1-benzyl-3-(3,4-dimethoxybenzoyl)quinolin-4-one
CID 2137046
methyl 3-[(1-benzyl-6-bromo-4-oxoquinoline-3-carbonyl)amino]propanoate
CID 118585678
1-benzyl-N-cyclopentylindole-3-carboxamide
CID 26721989
1-[(4-carbamoylphenyl)methyl]-N-[(2S)-2-fluorocyclohexyl]-4-oxoquinoline-3-carboxamide
CID 155106826
ethyl 1-[(4-methoxycarbonylphenyl)methyl]-4-oxoquinoline-3-carboxylate
CID 122188100
1-benzyl-N-[2-(4-methylpiperazin-1-yl)ethyl]indole-3-carboxamide
CID 10547563

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(4-methoxy-1-methylcyclohexyl)methyl]-4-oxoquinoline-3-carboxamide?
The IUPAC name of 1-benzyl-N-[(4-methoxy-1-methylcyclohexyl)methyl]-4-oxoquinoline-3-carboxamide (CID 155949410) is 1-benzyl-N-[(4-methoxy-1-methylcyclohexyl)methyl]-4-oxoquinoline-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-[(4-methoxy-1-methylcyclohexyl)methyl]-4-oxoquinoline-3-carboxamide?
The canonical SMILES for 1-benzyl-N-[(4-methoxy-1-methylcyclohexyl)methyl]-4-oxoquinoline-3-carboxamide is COC1CCC(C)(CNC(=O)c2cn(Cc3ccccc3)c3ccccc3c2=O)CC1.
What is the InChIKey of 1-benzyl-N-[(4-methoxy-1-methylcyclohexyl)methyl]-4-oxoquinoline-3-carboxamide?
The InChIKey is OPQDUGNCOHKGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O3/c1-26(14-12-20(31-2)13-15-26)18-27-25(30)22-17-28(16-19-8-4-3-5-9-19)23-11-7-6-10-21(23)24(22)29/h3-11,17,20H,12-16,18H2,1-2H3,(H,27,30).
What are the key properties of 1-benzyl-N-[(4-methoxy-1-methylcyclohexyl)methyl]-4-oxoquinoline-3-carboxamide?
1-benzyl-N-[(4-methoxy-1-methylcyclohexyl)methyl]-4-oxoquinoline-3-carboxamide has a molecular weight of 418.54 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(4-methoxy-1-methylcyclohexyl)methyl]-4-oxoquinoline-3-carboxamide is sourced from PubChem (CID 155949410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).