N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide

C24H27N3O3 — CID 60610346

IUPACN-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
SMILESCc1c(NC(=O)CCC2Cc3ccccc3NC2=O)cccc1C(=O)N1CCCC1
InChIInChI=1S/C24H27N3O3/c1-16-19(24(30)27-13-4-5-14-27)8-6-10-20(16)25-22(28)12-11-18-15-17-7-2-3-9-21(17)26-23(18)29/h2-3,6-10,18H,4-5,11-15H2,1H3,(H,25,28)(H,26,29)
InChIKeyOYMXISLMQDSPQY-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.76
Rot. Bonds5

About N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide

N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide (PubChem CID 60610346) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide.

Molecular Properties

Compound NameN-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
PubChem CID60610346
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC NameN-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
SMILESCc1c(NC(=O)CCC2Cc3ccccc3NC2=O)cccc1C(=O)N1CCCC1
InChIInChI=1S/C24H27N3O3/c1-16-19(24(30)27-13-4-5-14-27)8-6-10-20(16)25-22(28)12-11-18-15-17-7-2-3-9-21(17)26-23(18)29/h2-3,6-10,18H,4-5,11-15H2,1H3,(H,25,28)(H,26,29)
InChIKeyOYMXISLMQDSPQY-UHFFFAOYSA-N
XLogP3.76
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxyphenyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 16615477
2-[2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]phenyl]acetic acid
CID 119218504
3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide
CID 24633457
3-amino-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]propanamide;hydrochloride
CID 119310023
4-amino-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]pentanamide
CID 120561704
N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 55895212
N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 167929449
N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 16621317
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-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-3-pyridin-2-ylpropanamide
CID 60610430
methyl 2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]acetate
CID 134051213

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide?
The IUPAC name of N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide (CID 60610346) is N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide.
What is the SMILES notation for N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide?
The canonical SMILES for N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide is Cc1c(NC(=O)CCC2Cc3ccccc3NC2=O)cccc1C(=O)N1CCCC1.
What is the InChIKey of N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide?
The InChIKey is OYMXISLMQDSPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-16-19(24(30)27-13-4-5-14-27)8-6-10-20(16)25-22(28)12-11-18-15-17-7-2-3-9-21(17)26-23(18)29/h2-3,6-10,18H,4-5,11-15H2,1H3,(H,25,28)(H,26,29).
What are the key properties of N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide?
N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide has a molecular weight of 405.50 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide is sourced from PubChem (CID 60610346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).