(4R)-7-(2-oxopyrrolidin-1-yl)-4-(2-phenylpyrazol-3-yl)-3,4-dihydro-1H-quinolin-2-one

C22H20N4O2 — CID 95134825

IUPAC(4R)-7-(2-oxopyrrolidin-1-yl)-4-(2-phenylpyrazol-3-yl)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1C[C@@H](c2ccnn2-c2ccccc2)c2ccc(N3CCCC3=O)cc2N1
InChIInChI=1S/C22H20N4O2/c27-21-14-18(20-10-11-23-26(20)15-5-2-1-3-6-15)17-9-8-16(13-19(17)24-21)25-12-4-7-22(25)28/h1-3,5-6,8-11,13,18H,4,7,12,14H2,(H,24,27)/t18-/m1/s1
InChIKeyMUSFCJRBIUZSNB-GOSISDBHSA-N
MW372.43 g/mol
LogP3.47
Rot. Bonds3

About (4R)-7-(2-oxopyrrolidin-1-yl)-4-(2-phenylpyrazol-3-yl)-3,4-dihydro-1H-quinolin-2-one

(4R)-7-(2-oxopyrrolidin-1-yl)-4-(2-phenylpyrazol-3-yl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 95134825) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is (4R)-7-(2-oxopyrrolidin-1-yl)-4-(2-phenylpyrazol-3-yl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name(4R)-7-(2-oxopyrrolidin-1-yl)-4-(2-phenylpyrazol-3-yl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID95134825
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC Name(4R)-7-(2-oxopyrrolidin-1-yl)-4-(2-phenylpyrazol-3-yl)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1C[C@@H](c2ccnn2-c2ccccc2)c2ccc(N3CCCC3=O)cc2N1
InChIInChI=1S/C22H20N4O2/c27-21-14-18(20-10-11-23-26(20)15-5-2-1-3-6-15)17-9-8-16(13-19(17)24-21)25-12-4-7-22(25)28/h1-3,5-6,8-11,13,18H,4,7,12,14H2,(H,24,27)/t18-/m1/s1
InChIKeyMUSFCJRBIUZSNB-GOSISDBHSA-N
XLogP3.47
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1,3-benzothiazol-2-yl)-7-(2-oxopyrrolidin-1-yl)-3,4-dihydro-1H-quinolin-2-one
CID 169411339
(4S)-1-phenyl-4-(2-phenylpyrazol-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136820531
formic acid;7-(2-oxopyrrolidin-1-yl)-4-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinolin-2-one
CID 171339709
4-[1-(4-methoxyphenyl)imidazol-2-yl]-7-(2-oxopyrrolidin-1-yl)-3,4-dihydro-1H-quinolin-2-one
CID 170506240
(4R)-7-(2-oxoimidazolidin-1-yl)-4-(5-phenyl-1H-pyrazol-4-yl)-3,4-dihydro-1H-quinolin-2-one
CID 95211804
3-[(4R)-2-oxo-4-quinoxalin-2-yl-3,4-dihydro-1H-quinolin-7-yl]-1,3-oxazolidin-2-one
CID 95144546
N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 45169114
1-[3-[3-(2-oxopyrrolidin-1-yl)phenoxy]phenyl]pyrrolidin-2-one
CID 142760205
1-(3-hydroxyphenyl)pyrrolidin-2-one
CID 736761
1-(6,11-dihydro-5H-pyrido[3,2-c][1,5]benzodiazepin-8-yl)pyrrolidin-2-one
CID 154974464
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
3-(2-oxopiperidin-1-yl)benzoic acid
CID 24689039

Frequently Asked Questions

What is the IUPAC name of (4R)-7-(2-oxopyrrolidin-1-yl)-4-(2-phenylpyrazol-3-yl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of (4R)-7-(2-oxopyrrolidin-1-yl)-4-(2-phenylpyrazol-3-yl)-3,4-dihydro-1H-quinolin-2-one (CID 95134825) is (4R)-7-(2-oxopyrrolidin-1-yl)-4-(2-phenylpyrazol-3-yl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for (4R)-7-(2-oxopyrrolidin-1-yl)-4-(2-phenylpyrazol-3-yl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for (4R)-7-(2-oxopyrrolidin-1-yl)-4-(2-phenylpyrazol-3-yl)-3,4-dihydro-1H-quinolin-2-one is O=C1C[C@@H](c2ccnn2-c2ccccc2)c2ccc(N3CCCC3=O)cc2N1.
What is the InChIKey of (4R)-7-(2-oxopyrrolidin-1-yl)-4-(2-phenylpyrazol-3-yl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is MUSFCJRBIUZSNB-GOSISDBHSA-N. The full InChI is InChI=1S/C22H20N4O2/c27-21-14-18(20-10-11-23-26(20)15-5-2-1-3-6-15)17-9-8-16(13-19(17)24-21)25-12-4-7-22(25)28/h1-3,5-6,8-11,13,18H,4,7,12,14H2,(H,24,27)/t18-/m1/s1.
What are the key properties of (4R)-7-(2-oxopyrrolidin-1-yl)-4-(2-phenylpyrazol-3-yl)-3,4-dihydro-1H-quinolin-2-one?
(4R)-7-(2-oxopyrrolidin-1-yl)-4-(2-phenylpyrazol-3-yl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 372.43 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-7-(2-oxopyrrolidin-1-yl)-4-(2-phenylpyrazol-3-yl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 95134825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).