N-[4-[[[2-(2-oxo-1H-quinolin-3-yl)acetyl]amino]methyl]phenyl]butanamide

C22H23N3O3 — CID 60515860

IUPACN-[4-[[[2-(2-oxo-1H-quinolin-3-yl)acetyl]amino]methyl]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(CNC(=O)Cc2cc3ccccc3[nH]c2=O)cc1
InChIInChI=1S/C22H23N3O3/c1-2-5-20(26)24-18-10-8-15(9-11-18)14-23-21(27)13-17-12-16-6-3-4-7-19(16)25-22(17)28/h3-4,6-12H,2,5,13-14H2,1H3,(H,23,27)(H,24,26)(H,25,28)
InChIKeyLNPYLRSPILHTIO-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.13
Rot. Bonds7

About N-[4-[[[2-(2-oxo-1H-quinolin-3-yl)acetyl]amino]methyl]phenyl]butanamide

N-[4-[[[2-(2-oxo-1H-quinolin-3-yl)acetyl]amino]methyl]phenyl]butanamide (PubChem CID 60515860) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is N-[4-[[[2-(2-oxo-1H-quinolin-3-yl)acetyl]amino]methyl]phenyl]butanamide.

Molecular Properties

Compound NameN-[4-[[[2-(2-oxo-1H-quinolin-3-yl)acetyl]amino]methyl]phenyl]butanamide
PubChem CID60515860
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC NameN-[4-[[[2-(2-oxo-1H-quinolin-3-yl)acetyl]amino]methyl]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(CNC(=O)Cc2cc3ccccc3[nH]c2=O)cc1
InChIInChI=1S/C22H23N3O3/c1-2-5-20(26)24-18-10-8-15(9-11-18)14-23-21(27)13-17-12-16-6-3-4-7-19(16)25-22(17)28/h3-4,6-12H,2,5,13-14H2,1H3,(H,23,27)(H,24,26)(H,25,28)
InChIKeyLNPYLRSPILHTIO-UHFFFAOYSA-N
XLogP3.13
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[4-[[[2-(2-oxo-1H-quinolin-3-yl)acetyl]amino]methyl]phenyl]butanamide with MolForge

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Related Compounds

N-[[3-(butanoylamino)phenyl]methyl]-2-oxo-1H-quinoline-3-carboxamide
CID 55844693
2-(3-methyl-2-oxo-1H-quinolin-6-yl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 110616680
N-[[4-(butanoylamino)phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 60516002
N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-(2-oxo-1H-quinolin-3-yl)acetamide
CID 155966768
N-[4-methyl-3-(trifluoromethyl)phenyl]-2-(2-oxo-1H-quinolin-3-yl)acetamide
CID 60541350
3-(2-oxo-1H-quinolin-3-yl)-N-(4-propan-2-yloxyphenyl)propanamide
CID 110331033
N-[4-[(3-aminopropanoylamino)methyl]phenyl]butanamide
CID 119289487
tert-butyl N-[2-[[2-(2-oxo-1H-quinolin-3-yl)acetyl]amino]ethyl]carbamate
CID 71936523
N-(2-ethyl-6-methylphenyl)-3-(2-oxo-1H-quinolin-3-yl)propanamide
CID 110355986
N-[4-[[(N-benzyl-N'-methylcarbamimidoyl)amino]methyl]phenyl]butanamide
CID 110953088
2-(4-oxo-3H-phthalazin-1-yl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 139017463
N-benzyl-3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331627

Frequently Asked Questions

What is the IUPAC name of N-[4-[[[2-(2-oxo-1H-quinolin-3-yl)acetyl]amino]methyl]phenyl]butanamide?
The IUPAC name of N-[4-[[[2-(2-oxo-1H-quinolin-3-yl)acetyl]amino]methyl]phenyl]butanamide (CID 60515860) is N-[4-[[[2-(2-oxo-1H-quinolin-3-yl)acetyl]amino]methyl]phenyl]butanamide.
What is the SMILES notation for N-[4-[[[2-(2-oxo-1H-quinolin-3-yl)acetyl]amino]methyl]phenyl]butanamide?
The canonical SMILES for N-[4-[[[2-(2-oxo-1H-quinolin-3-yl)acetyl]amino]methyl]phenyl]butanamide is CCCC(=O)Nc1ccc(CNC(=O)Cc2cc3ccccc3[nH]c2=O)cc1.
What is the InChIKey of N-[4-[[[2-(2-oxo-1H-quinolin-3-yl)acetyl]amino]methyl]phenyl]butanamide?
The InChIKey is LNPYLRSPILHTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-2-5-20(26)24-18-10-8-15(9-11-18)14-23-21(27)13-17-12-16-6-3-4-7-19(16)25-22(17)28/h3-4,6-12H,2,5,13-14H2,1H3,(H,23,27)(H,24,26)(H,25,28).
What are the key properties of N-[4-[[[2-(2-oxo-1H-quinolin-3-yl)acetyl]amino]methyl]phenyl]butanamide?
N-[4-[[[2-(2-oxo-1H-quinolin-3-yl)acetyl]amino]methyl]phenyl]butanamide has a molecular weight of 377.44 g/mol, XLogP of 3.13, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[[2-(2-oxo-1H-quinolin-3-yl)acetyl]amino]methyl]phenyl]butanamide is sourced from PubChem (CID 60515860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).