N-cyclohexyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-nitrobenzamide

C24H25N3O4 — CID 4005326

IUPACN-cyclohexyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-nitrobenzamide
SMILESCc1cccc2cc(CN(C(=O)c3ccc([N+](=O)[O-])cc3)C3CCCCC3)c(=O)[nH]c12
InChIInChI=1S/C24H25N3O4/c1-16-6-5-7-18-14-19(23(28)25-22(16)18)15-26(20-8-3-2-4-9-20)24(29)17-10-12-21(13-11-17)27(30)31/h5-7,10-14,20H,2-4,8-9,15H2,1H3,(H,25,28)
InChIKeyIWRNUSANCAAKKV-UHFFFAOYSA-N
MW419.48 g/mol
LogP4.72
Rot. Bonds5

About N-cyclohexyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-nitrobenzamide

N-cyclohexyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-nitrobenzamide (PubChem CID 4005326) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is N-cyclohexyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-nitrobenzamide.

Molecular Properties

Compound NameN-cyclohexyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-nitrobenzamide
PubChem CID4005326
Molecular FormulaC24H25N3O4
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC NameN-cyclohexyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-nitrobenzamide
SMILESCc1cccc2cc(CN(C(=O)c3ccc([N+](=O)[O-])cc3)C3CCCCC3)c(=O)[nH]c12
InChIInChI=1S/C24H25N3O4/c1-16-6-5-7-18-14-19(23(28)25-22(16)18)15-26(20-8-3-2-4-9-20)24(29)17-10-12-21(13-11-17)27(30)31/h5-7,10-14,20H,2-4,8-9,15H2,1H3,(H,25,28)
InChIKeyIWRNUSANCAAKKV-UHFFFAOYSA-N
XLogP4.72
TPSA96.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 769064
N-cyclopentyl-3-methoxy-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1445613
N-(2-methoxyphenyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-nitrobenzamide
CID 1416098
N-cyclopentyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]oxolane-2-carboxamide
CID 3725789
3-(3-chlorophenyl)-1-cyclohexyl-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 23824039
1-cyclopentyl-3-(2-fluorophenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 1467407
N-cyclohexyl-4-methoxy-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1394966
1-cyclopentyl-3-[3-(dimethylamino)propyl]-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea
CID 3169907
N-cyclohexyl-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331062
N-cyclohexyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-nitrobenzamide
CID 8836075
N-cyclohexyl-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 855783
N-cyclopentyl-N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 856997

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-nitrobenzamide?
The IUPAC name of N-cyclohexyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-nitrobenzamide (CID 4005326) is N-cyclohexyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-nitrobenzamide.
What is the SMILES notation for N-cyclohexyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-nitrobenzamide?
The canonical SMILES for N-cyclohexyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-nitrobenzamide is Cc1cccc2cc(CN(C(=O)c3ccc([N+](=O)[O-])cc3)C3CCCCC3)c(=O)[nH]c12.
What is the InChIKey of N-cyclohexyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-nitrobenzamide?
The InChIKey is IWRNUSANCAAKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4/c1-16-6-5-7-18-14-19(23(28)25-22(16)18)15-26(20-8-3-2-4-9-20)24(29)17-10-12-21(13-11-17)27(30)31/h5-7,10-14,20H,2-4,8-9,15H2,1H3,(H,25,28).
What are the key properties of N-cyclohexyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-nitrobenzamide?
N-cyclohexyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-nitrobenzamide has a molecular weight of 419.48 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-nitrobenzamide is sourced from PubChem (CID 4005326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).