(2S)-2-[3-chloro-4-(2-oxopyrrolidin-1-yl)anilino]-N-quinolin-5-ylpropanamide

C22H21ClN4O2 — CID 34281309

IUPAC(2S)-2-[3-chloro-4-(2-oxopyrrolidin-1-yl)anilino]-N-quinolin-5-ylpropanamide
SMILESC[C@H](Nc1ccc(N2CCCC2=O)c(Cl)c1)C(=O)Nc1cccc2ncccc12
InChIInChI=1S/C22H21ClN4O2/c1-14(22(29)26-19-7-2-6-18-16(19)5-3-11-24-18)25-15-9-10-20(17(23)13-15)27-12-4-8-21(27)28/h2-3,5-7,9-11,13-14,25H,4,8,12H2,1H3,(H,26,29)/t14-/m0/s1
InChIKeyMLIWIHYAGJRXRT-AWEZNQCLSA-N
MW408.89 g/mol
LogP4.45
Rot. Bonds5

About (2S)-2-[3-chloro-4-(2-oxopyrrolidin-1-yl)anilino]-N-quinolin-5-ylpropanamide

(2S)-2-[3-chloro-4-(2-oxopyrrolidin-1-yl)anilino]-N-quinolin-5-ylpropanamide (PubChem CID 34281309) has the molecular formula C22H21ClN4O2 and a molecular weight of 408.89 g/mol. Its IUPAC name is (2S)-2-[3-chloro-4-(2-oxopyrrolidin-1-yl)anilino]-N-quinolin-5-ylpropanamide.

Molecular Properties

Compound Name(2S)-2-[3-chloro-4-(2-oxopyrrolidin-1-yl)anilino]-N-quinolin-5-ylpropanamide
PubChem CID34281309
Molecular FormulaC22H21ClN4O2
Molecular Weight408.89 g/mol
Exact Mass408.14
IUPAC Name(2S)-2-[3-chloro-4-(2-oxopyrrolidin-1-yl)anilino]-N-quinolin-5-ylpropanamide
SMILESC[C@H](Nc1ccc(N2CCCC2=O)c(Cl)c1)C(=O)Nc1cccc2ncccc12
InChIInChI=1S/C22H21ClN4O2/c1-14(22(29)26-19-7-2-6-18-16(19)5-3-11-24-18)25-15-9-10-20(17(23)13-15)27-12-4-8-21(27)28/h2-3,5-7,9-11,13-14,25H,4,8,12H2,1H3,(H,26,29)/t14-/m0/s1
InChIKeyMLIWIHYAGJRXRT-AWEZNQCLSA-N
XLogP4.45
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.89
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[3-chloro-4-(2-oxopyrrolidin-1-yl)anilino]-N-(2-ethoxyphenyl)propanamide
CID 32508323
N-(3-chloro-2-methylphenyl)-2-[3-methyl-4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 42935089
N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-[(3-chlorophenyl)sulfonylamino]propanamide
CID 42890350
2-[3-(2-amino-2-oxoethoxy)-4-methoxyanilino]-N-quinolin-5-ylpropanamide
CID 55914859
N-(3-chlorophenyl)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 24614808
(2R)-N-(2-methylphenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 25328467
N-(2,5-dimethylphenyl)-2-[3-methyl-4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 42935087
1-[2-chloro-4-[[(2S)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]amino]phenyl]pyrrolidin-2-one
CID 32508446
N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]quinoxaline-2-carboxamide
CID 17452256
(2S)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-N-phenylpropanamide
CID 41397114
(2S)-N-(3-chlorophenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 8967271
1-[2-chloro-4-(methylamino)phenyl]pyrrolidin-2-one
CID 63090019

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[3-chloro-4-(2-oxopyrrolidin-1-yl)anilino]-N-quinolin-5-ylpropanamide?
The IUPAC name of (2S)-2-[3-chloro-4-(2-oxopyrrolidin-1-yl)anilino]-N-quinolin-5-ylpropanamide (CID 34281309) is (2S)-2-[3-chloro-4-(2-oxopyrrolidin-1-yl)anilino]-N-quinolin-5-ylpropanamide.
What is the SMILES notation for (2S)-2-[3-chloro-4-(2-oxopyrrolidin-1-yl)anilino]-N-quinolin-5-ylpropanamide?
The canonical SMILES for (2S)-2-[3-chloro-4-(2-oxopyrrolidin-1-yl)anilino]-N-quinolin-5-ylpropanamide is C[C@H](Nc1ccc(N2CCCC2=O)c(Cl)c1)C(=O)Nc1cccc2ncccc12.
What is the InChIKey of (2S)-2-[3-chloro-4-(2-oxopyrrolidin-1-yl)anilino]-N-quinolin-5-ylpropanamide?
The InChIKey is MLIWIHYAGJRXRT-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H21ClN4O2/c1-14(22(29)26-19-7-2-6-18-16(19)5-3-11-24-18)25-15-9-10-20(17(23)13-15)27-12-4-8-21(27)28/h2-3,5-7,9-11,13-14,25H,4,8,12H2,1H3,(H,26,29)/t14-/m0/s1.
What are the key properties of (2S)-2-[3-chloro-4-(2-oxopyrrolidin-1-yl)anilino]-N-quinolin-5-ylpropanamide?
(2S)-2-[3-chloro-4-(2-oxopyrrolidin-1-yl)anilino]-N-quinolin-5-ylpropanamide has a molecular weight of 408.89 g/mol, XLogP of 4.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[3-chloro-4-(2-oxopyrrolidin-1-yl)anilino]-N-quinolin-5-ylpropanamide is sourced from PubChem (CID 34281309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).