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

C21H21N3O3 — CID 55844693

IUPACN-[[3-(butanoylamino)phenyl]methyl]-2-oxo-1H-quinoline-3-carboxamide
SMILESCCCC(=O)Nc1cccc(CNC(=O)c2cc3ccccc3[nH]c2=O)c1
InChIInChI=1S/C21H21N3O3/c1-2-6-19(25)23-16-9-5-7-14(11-16)13-22-20(26)17-12-15-8-3-4-10-18(15)24-21(17)27/h3-5,7-12H,2,6,13H2,1H3,(H,22,26)(H,23,25)(H,24,27)
InChIKeyMVCUYNNFOCWNOF-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.20
Rot. Bonds6

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

N-[[3-(butanoylamino)phenyl]methyl]-2-oxo-1H-quinoline-3-carboxamide (PubChem CID 55844693) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-[[3-(butanoylamino)phenyl]methyl]-2-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[[3-(butanoylamino)phenyl]methyl]-2-oxo-1H-quinoline-3-carboxamide
PubChem CID55844693
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC NameN-[[3-(butanoylamino)phenyl]methyl]-2-oxo-1H-quinoline-3-carboxamide
SMILESCCCC(=O)Nc1cccc(CNC(=O)c2cc3ccccc3[nH]c2=O)c1
InChIInChI=1S/C21H21N3O3/c1-2-6-19(25)23-16-9-5-7-14(11-16)13-22-20(26)17-12-15-8-3-4-10-18(15)24-21(17)27/h3-5,7-12H,2,6,13H2,1H3,(H,22,26)(H,23,25)(H,24,27)
InChIKeyMVCUYNNFOCWNOF-UHFFFAOYSA-N
XLogP3.20
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(butanoylamino)phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 60515059
N-[4-[[[2-(2-oxo-1H-quinolin-3-yl)acetyl]amino]methyl]phenyl]butanamide
CID 60515860
N-[[3-(butanoylamino)phenyl]methyl]-2-methylsulfonylbenzamide
CID 87001535
2-benzoyl-N-[[3-(butanoylamino)phenyl]methyl]benzamide
CID 60515223
N-[(3,4-dihydroxyphenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide
CID 142731918
N-[(4-chlorophenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide
CID 123757934
N-[(4-bromophenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide
CID 142731957
N-[2-[[3-(butanoylamino)phenyl]methylamino]-2-oxoethyl]-2-chlorobenzamide
CID 51120300
N-[[3-(butanoylamino)phenyl]methyl]-4,6-dimethyl-1H-indole-2-carboxamide
CID 60515084
N-[(4-butoxy-3-methoxyphenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide
CID 55694019
N-methyl-2-oxo-1H-quinoline-3-carboxamide
CID 16613028
N-[3-[[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]methyl]phenyl]butanamide
CID 55782744

Frequently Asked Questions

What is the IUPAC name of N-[[3-(butanoylamino)phenyl]methyl]-2-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-[[3-(butanoylamino)phenyl]methyl]-2-oxo-1H-quinoline-3-carboxamide (CID 55844693) is N-[[3-(butanoylamino)phenyl]methyl]-2-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[[3-(butanoylamino)phenyl]methyl]-2-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[[3-(butanoylamino)phenyl]methyl]-2-oxo-1H-quinoline-3-carboxamide is CCCC(=O)Nc1cccc(CNC(=O)c2cc3ccccc3[nH]c2=O)c1.
What is the InChIKey of N-[[3-(butanoylamino)phenyl]methyl]-2-oxo-1H-quinoline-3-carboxamide?
The InChIKey is MVCUYNNFOCWNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-2-6-19(25)23-16-9-5-7-14(11-16)13-22-20(26)17-12-15-8-3-4-10-18(15)24-21(17)27/h3-5,7-12H,2,6,13H2,1H3,(H,22,26)(H,23,25)(H,24,27).
What are the key properties of N-[[3-(butanoylamino)phenyl]methyl]-2-oxo-1H-quinoline-3-carboxamide?
N-[[3-(butanoylamino)phenyl]methyl]-2-oxo-1H-quinoline-3-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 3.20, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(butanoylamino)phenyl]methyl]-2-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 55844693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).