2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]-N-(1-phenylethyl)benzamide

C27H27N3O3 — CID 16615583

IUPAC2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]-N-(1-phenylethyl)benzamide
SMILESCC(NC(=O)c1ccccc1NC(=O)CCC1Cc2ccccc2NC1=O)c1ccccc1
InChIInChI=1S/C27H27N3O3/c1-18(19-9-3-2-4-10-19)28-27(33)22-12-6-8-14-24(22)29-25(31)16-15-21-17-20-11-5-7-13-23(20)30-26(21)32/h2-14,18,21H,15-17H2,1H3,(H,28,33)(H,29,31)(H,30,32)
InChIKeyLONBEWPPBNICRX-UHFFFAOYSA-N
MW441.53 g/mol
LogP4.71
Rot. Bonds7

About 2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]-N-(1-phenylethyl)benzamide

2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]-N-(1-phenylethyl)benzamide (PubChem CID 16615583) has the molecular formula C27H27N3O3 and a molecular weight of 441.53 g/mol. Its IUPAC name is 2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]-N-(1-phenylethyl)benzamide
PubChem CID16615583
Molecular FormulaC27H27N3O3
Molecular Weight441.53 g/mol
Exact Mass441.21
IUPAC Name2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]-N-(1-phenylethyl)benzamide
SMILESCC(NC(=O)c1ccccc1NC(=O)CCC1Cc2ccccc2NC1=O)c1ccccc1
InChIInChI=1S/C27H27N3O3/c1-18(19-9-3-2-4-10-19)28-27(33)22-12-6-8-14-24(22)29-25(31)16-15-21-17-20-11-5-7-13-23(20)30-26(21)32/h2-14,18,21H,15-17H2,1H3,(H,28,33)(H,29,31)(H,30,32)
InChIKeyLONBEWPPBNICRX-UHFFFAOYSA-N
XLogP4.71
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 54.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]phenyl]acetic acid
CID 119218504
N-(2-methoxyphenyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 16615477
(2R)-2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]-2-phenylacetic acid
CID 119367609
N-[(2S)-3-methylbutan-2-yl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide
CID 30211328
2-(3-chloropropanoylamino)-N-(1-phenylethyl)benzamide
CID 4157890
N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 60610346
methyl 3-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]-3-phenylpropanoate
CID 18143028
(2S,3S)-3-methyl-2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]pentanoic acid
CID 119194338
N-[1-(furan-2-yl)ethyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 18142639
2-(hexanoylamino)-N-[(1S)-1-phenylethyl]benzamide
CID 9240215
3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)-N-(1-pyridin-2-ylethyl)propanamide
CID 24645544
2-[(2-phenylacetyl)amino]-N-[(1S)-1-phenylethyl]benzamide
CID 1210513

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]-N-(1-phenylethyl)benzamide?
The IUPAC name of 2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]-N-(1-phenylethyl)benzamide (CID 16615583) is 2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]-N-(1-phenylethyl)benzamide?
The canonical SMILES for 2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]-N-(1-phenylethyl)benzamide is CC(NC(=O)c1ccccc1NC(=O)CCC1Cc2ccccc2NC1=O)c1ccccc1.
What is the InChIKey of 2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]-N-(1-phenylethyl)benzamide?
The InChIKey is LONBEWPPBNICRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O3/c1-18(19-9-3-2-4-10-19)28-27(33)22-12-6-8-14-24(22)29-25(31)16-15-21-17-20-11-5-7-13-23(20)30-26(21)32/h2-14,18,21H,15-17H2,1H3,(H,28,33)(H,29,31)(H,30,32).
What are the key properties of 2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]-N-(1-phenylethyl)benzamide?
2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]-N-(1-phenylethyl)benzamide has a molecular weight of 441.53 g/mol, XLogP of 4.71, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 16615583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).