N-[2-[(cyclohexylmethylamino)methyl]phenyl]-4-oxo-1H-quinoline-3-carboxamide

C24H27N3O2 — CID 66675127

IUPACN-[2-[(cyclohexylmethylamino)methyl]phenyl]-4-oxo-1H-quinoline-3-carboxamide
SMILESO=C(Nc1ccccc1CNCC1CCCCC1)c1c[nH]c2ccccc2c1=O
InChIInChI=1S/C24H27N3O2/c28-23-19-11-5-7-13-22(19)26-16-20(23)24(29)27-21-12-6-4-10-18(21)15-25-14-17-8-2-1-3-9-17/h4-7,10-13,16-17,25H,1-3,8-9,14-15H2,(H,26,28)(H,27,29)
InChIKeyGSLRWDRMBQLEGA-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.45
Rot. Bonds6

About N-[2-[(cyclohexylmethylamino)methyl]phenyl]-4-oxo-1H-quinoline-3-carboxamide

N-[2-[(cyclohexylmethylamino)methyl]phenyl]-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 66675127) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is N-[2-[(cyclohexylmethylamino)methyl]phenyl]-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(cyclohexylmethylamino)methyl]phenyl]-4-oxo-1H-quinoline-3-carboxamide
PubChem CID66675127
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC NameN-[2-[(cyclohexylmethylamino)methyl]phenyl]-4-oxo-1H-quinoline-3-carboxamide
SMILESO=C(Nc1ccccc1CNCC1CCCCC1)c1c[nH]c2ccccc2c1=O
InChIInChI=1S/C24H27N3O2/c28-23-19-11-5-7-13-22(19)26-16-20(23)24(29)27-21-12-6-4-10-18(21)15-25-14-17-8-2-1-3-9-17/h4-7,10-13,16-17,25H,1-3,8-9,14-15H2,(H,26,28)(H,27,29)
InChIKeyGSLRWDRMBQLEGA-UHFFFAOYSA-N
XLogP4.45
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-4-oxo-1H-quinoline-3-carboxamide
CID 66675128
1-cyclobutyl-N-(1H-indol-3-ylmethyl)methanamine
CID 62332415
ethane;N-(2-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide;propane
CID 90785095
N-[(1R,2R)-2-hydroxycyclohexyl]-4-oxo-1H-quinoline-3-carboxamide
CID 104927982
N-(cyclohexylmethyl)-3-(1H-indol-3-yl)-2-oxopropanamide
CID 91562917
N-(2,5-difluorophenyl)-4-oxo-1H-quinoline-3-carboxamide
CID 30131667
N-[2-(furan-3-yl)phenyl]-4-oxo-1H-quinoline-3-carboxamide
CID 66675664
N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 94815210
N-(2-cyclopentylethyl)-1H-indole-3-carboxamide
CID 47267271
2-[(cyclohexylmethylamino)methyl]benzamide
CID 43371551
N-(5-hydroxy-2-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide
CID 169084828
2-(1H-indol-3-yl)-2-oxo-N-[2-(piperidin-1-ylmethyl)phenyl]acetamide
CID 59008542

Frequently Asked Questions

What is the IUPAC name of N-[2-[(cyclohexylmethylamino)methyl]phenyl]-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-[2-[(cyclohexylmethylamino)methyl]phenyl]-4-oxo-1H-quinoline-3-carboxamide (CID 66675127) is N-[2-[(cyclohexylmethylamino)methyl]phenyl]-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[2-[(cyclohexylmethylamino)methyl]phenyl]-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[2-[(cyclohexylmethylamino)methyl]phenyl]-4-oxo-1H-quinoline-3-carboxamide is O=C(Nc1ccccc1CNCC1CCCCC1)c1c[nH]c2ccccc2c1=O.
What is the InChIKey of N-[2-[(cyclohexylmethylamino)methyl]phenyl]-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is GSLRWDRMBQLEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c28-23-19-11-5-7-13-22(19)26-16-20(23)24(29)27-21-12-6-4-10-18(21)15-25-14-17-8-2-1-3-9-17/h4-7,10-13,16-17,25H,1-3,8-9,14-15H2,(H,26,28)(H,27,29).
What are the key properties of N-[2-[(cyclohexylmethylamino)methyl]phenyl]-4-oxo-1H-quinoline-3-carboxamide?
N-[2-[(cyclohexylmethylamino)methyl]phenyl]-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 4.45, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(cyclohexylmethylamino)methyl]phenyl]-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 66675127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).