1-N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-4-N-propan-2-ylbenzene-1,4-dicarboxamide

C22H23N3O3 — CID 154796285

IUPAC1-N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-4-N-propan-2-ylbenzene-1,4-dicarboxamide
SMILESCC(C)NC(=O)c1ccc(C(=O)NCc2cc3ccccc3n(C)c2=O)cc1
InChIInChI=1S/C22H23N3O3/c1-14(2)24-21(27)16-10-8-15(9-11-16)20(26)23-13-18-12-17-6-4-5-7-19(17)25(3)22(18)28/h4-12,14H,13H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyUIKJBLNOJLHFSQ-UHFFFAOYSA-N
MW377.44 g/mol
LogP2.61
Rot. Bonds5

About 1-N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-4-N-propan-2-ylbenzene-1,4-dicarboxamide

1-N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-4-N-propan-2-ylbenzene-1,4-dicarboxamide (PubChem CID 154796285) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 1-N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-4-N-propan-2-ylbenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-4-N-propan-2-ylbenzene-1,4-dicarboxamide
PubChem CID154796285
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name1-N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-4-N-propan-2-ylbenzene-1,4-dicarboxamide
SMILESCC(C)NC(=O)c1ccc(C(=O)NCc2cc3ccccc3n(C)c2=O)cc1
InChIInChI=1S/C22H23N3O3/c1-14(2)24-21(27)16-10-8-15(9-11-16)20(26)23-13-18-12-17-6-4-5-7-19(17)25(3)22(18)28/h4-12,14H,13H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyUIKJBLNOJLHFSQ-UHFFFAOYSA-N
XLogP2.61
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-4-N-propan-2-ylbenzene-1,4-dicarboxamide with MolForge

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Related Compounds

N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-4-[(prop-2-enoylamino)methyl]benzamide
CID 166404475
1-methyl-N-[(1-methyl-2-oxoquinolin-3-yl)methyl]pyrazole-4-carboxamide
CID 138042455
4-methyl-N-[(1-methyl-2-oxoquinolin-3-yl)methyl]pyridine-3-carboxamide
CID 136545220
N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-3-propan-2-ylpiperidine-1-carboxamide
CID 154780356
4-(4-methyl-3-oxoquinoxalin-2-yl)-N-propan-2-ylbenzamide
CID 46395275
4-[(1-methyl-2-oxoquinolin-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122015078
1-methyl-N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-3-(oxolan-3-yl)pyrazole-4-carboxamide
CID 167848659
N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-1-prop-2-enoylpyrrolidine-2-carboxamide
CID 166420208
N-[2-[(4-methoxybenzoyl)amino]ethyl]-1-methylindole-2-carboxamide
CID 29130862
3-(2,2-dimethylpropyl)-1-methylquinolin-2-one
CID 59736944
N-[(4-methoxyphenyl)methyl]-4-[(4-methyl-2,3-dioxoquinoxalin-1-yl)methyl]benzamide
CID 50815605
3-(benzenesulfonylmethyl)-1-methylquinolin-2-one
CID 18801719

Frequently Asked Questions

What is the IUPAC name of 1-N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-4-N-propan-2-ylbenzene-1,4-dicarboxamide?
The IUPAC name of 1-N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-4-N-propan-2-ylbenzene-1,4-dicarboxamide (CID 154796285) is 1-N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-4-N-propan-2-ylbenzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-4-N-propan-2-ylbenzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-4-N-propan-2-ylbenzene-1,4-dicarboxamide is CC(C)NC(=O)c1ccc(C(=O)NCc2cc3ccccc3n(C)c2=O)cc1.
What is the InChIKey of 1-N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-4-N-propan-2-ylbenzene-1,4-dicarboxamide?
The InChIKey is UIKJBLNOJLHFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-14(2)24-21(27)16-10-8-15(9-11-16)20(26)23-13-18-12-17-6-4-5-7-19(17)25(3)22(18)28/h4-12,14H,13H2,1-3H3,(H,23,26)(H,24,27).
What are the key properties of 1-N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-4-N-propan-2-ylbenzene-1,4-dicarboxamide?
1-N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-4-N-propan-2-ylbenzene-1,4-dicarboxamide has a molecular weight of 377.44 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-4-N-propan-2-ylbenzene-1,4-dicarboxamide is sourced from PubChem (CID 154796285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).