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

C22H23N3O3 — CID 43043190

IUPACN-cyclopropyl-4-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]benzamide
SMILESO=C(CCC1Cc2ccccc2NC1=O)Nc1ccc(C(=O)NC2CC2)cc1
InChIInChI=1S/C22H23N3O3/c26-20(12-7-16-13-15-3-1-2-4-19(15)25-22(16)28)23-17-8-5-14(6-9-17)21(27)24-18-10-11-18/h1-6,8-9,16,18H,7,10-13H2,(H,23,26)(H,24,27)(H,25,28)
InChIKeyAAUSGOSMFCVFSE-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.11
Rot. Bonds6

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

N-cyclopropyl-4-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]benzamide (PubChem CID 43043190) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is N-cyclopropyl-4-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]benzamide
PubChem CID43043190
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC NameN-cyclopropyl-4-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]benzamide
SMILESO=C(CCC1Cc2ccccc2NC1=O)Nc1ccc(C(=O)NC2CC2)cc1
InChIInChI=1S/C22H23N3O3/c26-20(12-7-16-13-15-3-1-2-4-19(15)25-22(16)28)23-17-8-5-14(6-9-17)21(27)24-18-10-11-18/h1-6,8-9,16,18H,7,10-13H2,(H,23,26)(H,24,27)(H,25,28)
InChIKeyAAUSGOSMFCVFSE-UHFFFAOYSA-N
XLogP3.11
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]-N-(4-propylphenyl)propanamide
CID 31306923
N-(3-fluoro-4-methylphenyl)-3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide
CID 26026495
N-(3-fluoro-4-methylphenyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 42933936
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide
CID 26262421
cis-(1S,3R)-3-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]cyclopentane-1-carboxylic acid
CID 120675455
N-(3-chloro-4-fluorophenyl)-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide
CID 26062216
2-[2-fluoro-4-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]phenyl]acetic acid
CID 122110056
N-(2-hydroxyethyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 78839484
N-(3-methoxyphenyl)-3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide
CID 51537746
2-[2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]phenyl]acetic acid
CID 119218504
N-[2-(cycloheptylamino)ethyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 119619916
N-(2-aminoethyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide;hydrochloride
CID 119383150

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]benzamide?
The IUPAC name of N-cyclopropyl-4-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]benzamide (CID 43043190) is N-cyclopropyl-4-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]benzamide?
The canonical SMILES for N-cyclopropyl-4-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]benzamide is O=C(CCC1Cc2ccccc2NC1=O)Nc1ccc(C(=O)NC2CC2)cc1.
What is the InChIKey of N-cyclopropyl-4-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]benzamide?
The InChIKey is AAUSGOSMFCVFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c26-20(12-7-16-13-15-3-1-2-4-19(15)25-22(16)28)23-17-8-5-14(6-9-17)21(27)24-18-10-11-18/h1-6,8-9,16,18H,7,10-13H2,(H,23,26)(H,24,27)(H,25,28).
What are the key properties of N-cyclopropyl-4-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]benzamide?
N-cyclopropyl-4-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]benzamide has a molecular weight of 377.44 g/mol, XLogP of 3.11, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]benzamide is sourced from PubChem (CID 43043190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).