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

C24H27N3O2 — CID 66675128

IUPACN-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-4-oxo-1H-quinoline-3-carboxamide
SMILESCN(Cc1ccccc1NC(=O)c1c[nH]c2ccccc2c1=O)C1CCCCC1
InChIInChI=1S/C24H27N3O2/c1-27(18-10-3-2-4-11-18)16-17-9-5-7-13-21(17)26-24(29)20-15-25-22-14-8-6-12-19(22)23(20)28/h5-9,12-15,18H,2-4,10-11,16H2,1H3,(H,25,28)(H,26,29)
InChIKeyGOSSSUWOAWIHOR-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.54
Rot. Bonds5

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

N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 66675128) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-4-oxo-1H-quinoline-3-carboxamide
PubChem CID66675128
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC NameN-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-4-oxo-1H-quinoline-3-carboxamide
SMILESCN(Cc1ccccc1NC(=O)c1c[nH]c2ccccc2c1=O)C1CCCCC1
InChIInChI=1S/C24H27N3O2/c1-27(18-10-3-2-4-11-18)16-17-9-5-7-13-21(17)26-24(29)20-15-25-22-14-8-6-12-19(22)23(20)28/h5-9,12-15,18H,2-4,10-11,16H2,1H3,(H,25,28)(H,26,29)
InChIKeyGOSSSUWOAWIHOR-UHFFFAOYSA-N
XLogP4.54
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(cyclohexylmethylamino)methyl]phenyl]-4-oxo-1H-quinoline-3-carboxamide
CID 66675127
2-[cyclobutyl(methyl)amino]-1-(1H-indol-3-yl)ethanone
CID 113246464
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 39977206
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 78873256
ethane;N-(2-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide;propane
CID 90785095
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-4-ethylbenzamide
CID 18158678
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]furan-3-carboxamide
CID 46554715
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-5-oxopyrrolidine-2-carboxamide
CID 71943341
N-[4-(dimethylamino)phenyl]-4-oxo-1H-quinoline-3-carboxamide
CID 13151201
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-4-methylsulfinylbenzamide
CID 55552886
cis-(1S,2R)-2-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 166254818
N-[(2R)-2-cyclopropyl-2-(dimethylamino)ethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 95091675

Frequently Asked Questions

What is the IUPAC name of N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-4-oxo-1H-quinoline-3-carboxamide (CID 66675128) is N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-4-oxo-1H-quinoline-3-carboxamide is CN(Cc1ccccc1NC(=O)c1c[nH]c2ccccc2c1=O)C1CCCCC1.
What is the InChIKey of N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is GOSSSUWOAWIHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-27(18-10-3-2-4-11-18)16-17-9-5-7-13-21(17)26-24(29)20-15-25-22-14-8-6-12-19(22)23(20)28/h5-9,12-15,18H,2-4,10-11,16H2,1H3,(H,25,28)(H,26,29).
What are the key properties of N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-4-oxo-1H-quinoline-3-carboxamide?
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 4.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 66675128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).