6-methyl-4-[(2S)-2-(pyrrolidine-1-carbonyl)piperazine-1-carbonyl]-1H-quinolin-2-one

C20H24N4O3 — CID 95722562

IUPAC6-methyl-4-[(2S)-2-(pyrrolidine-1-carbonyl)piperazine-1-carbonyl]-1H-quinolin-2-one
SMILESCc1ccc2[nH]c(=O)cc(C(=O)N3CCNC[C@H]3C(=O)N3CCCC3)c2c1
InChIInChI=1S/C20H24N4O3/c1-13-4-5-16-14(10-13)15(11-18(25)22-16)19(26)24-9-6-21-12-17(24)20(27)23-7-2-3-8-23/h4-5,10-11,17,21H,2-3,6-9,12H2,1H3,(H,22,25)/t17-/m0/s1
InChIKeyFZOOUDIDENTHPZ-KRWDZBQOSA-N
MW368.44 g/mol
LogP0.87
Rot. Bonds2

About 6-methyl-4-[(2S)-2-(pyrrolidine-1-carbonyl)piperazine-1-carbonyl]-1H-quinolin-2-one

6-methyl-4-[(2S)-2-(pyrrolidine-1-carbonyl)piperazine-1-carbonyl]-1H-quinolin-2-one (PubChem CID 95722562) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 6-methyl-4-[(2S)-2-(pyrrolidine-1-carbonyl)piperazine-1-carbonyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-methyl-4-[(2S)-2-(pyrrolidine-1-carbonyl)piperazine-1-carbonyl]-1H-quinolin-2-one
PubChem CID95722562
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name6-methyl-4-[(2S)-2-(pyrrolidine-1-carbonyl)piperazine-1-carbonyl]-1H-quinolin-2-one
SMILESCc1ccc2[nH]c(=O)cc(C(=O)N3CCNC[C@H]3C(=O)N3CCCC3)c2c1
InChIInChI=1S/C20H24N4O3/c1-13-4-5-16-14(10-13)15(11-18(25)22-16)19(26)24-9-6-21-12-17(24)20(27)23-7-2-3-8-23/h4-5,10-11,17,21H,2-3,6-9,12H2,1H3,(H,22,25)/t17-/m0/s1
InChIKeyFZOOUDIDENTHPZ-KRWDZBQOSA-N
XLogP0.87
TPSA85.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-1-(6-methyl-2-oxo-1H-quinoline-4-carbonyl)pyrrolidine-2-carboxylate
CID 95123862
4-[(2R)-2-methylpiperazine-1-carbonyl]-1H-quinolin-2-one
CID 82704916
[1-(3-hydroxy-4-methylbenzoyl)piperazin-2-yl]-pyrrolidin-1-ylmethanone
CID 56891026
[1-(2,6-difluoro-3-methylbenzoyl)piperazin-2-yl]-pyrrolidin-1-ylmethanone
CID 56898451
4-[8-(3,4-difluorophenyl)-3,8-diazabicyclo[3.2.1]octane-3-carbonyl]-6-methyl-1H-quinolin-2-one
CID 167441147
6-methyl-4-(3-oxa-9-azaspiro[5.5]undecane-9-carbonyl)-1H-quinolin-2-one
CID 121499593
6-methyl-4-[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane-9-carbonyl]-1H-quinolin-2-one
CID 135107759
4-[2-(2-imidazol-1-ylethyl)piperidine-1-carbonyl]-6-methyl-1H-quinolin-2-one
CID 70780587
4-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidine-1-carbonyl]-6-methyl-1H-quinolin-2-one
CID 95558519
4-[(3R,4S)-3-amino-4-cyclopropylpyrrolidine-1-carbonyl]-6-methyl-1H-quinolin-2-one
CID 72879693
(3aS,6aR)-5-(6-methyl-2-oxo-1H-quinoline-4-carbonyl)-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3-one
CID 164692286
pyrrolidin-1-yl-[(2S)-1-(quinoline-3-carbonyl)piperazin-2-yl]methanone
CID 95723967

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-[(2S)-2-(pyrrolidine-1-carbonyl)piperazine-1-carbonyl]-1H-quinolin-2-one?
The IUPAC name of 6-methyl-4-[(2S)-2-(pyrrolidine-1-carbonyl)piperazine-1-carbonyl]-1H-quinolin-2-one (CID 95722562) is 6-methyl-4-[(2S)-2-(pyrrolidine-1-carbonyl)piperazine-1-carbonyl]-1H-quinolin-2-one.
What is the SMILES notation for 6-methyl-4-[(2S)-2-(pyrrolidine-1-carbonyl)piperazine-1-carbonyl]-1H-quinolin-2-one?
The canonical SMILES for 6-methyl-4-[(2S)-2-(pyrrolidine-1-carbonyl)piperazine-1-carbonyl]-1H-quinolin-2-one is Cc1ccc2[nH]c(=O)cc(C(=O)N3CCNC[C@H]3C(=O)N3CCCC3)c2c1.
What is the InChIKey of 6-methyl-4-[(2S)-2-(pyrrolidine-1-carbonyl)piperazine-1-carbonyl]-1H-quinolin-2-one?
The InChIKey is FZOOUDIDENTHPZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-13-4-5-16-14(10-13)15(11-18(25)22-16)19(26)24-9-6-21-12-17(24)20(27)23-7-2-3-8-23/h4-5,10-11,17,21H,2-3,6-9,12H2,1H3,(H,22,25)/t17-/m0/s1.
What are the key properties of 6-methyl-4-[(2S)-2-(pyrrolidine-1-carbonyl)piperazine-1-carbonyl]-1H-quinolin-2-one?
6-methyl-4-[(2S)-2-(pyrrolidine-1-carbonyl)piperazine-1-carbonyl]-1H-quinolin-2-one has a molecular weight of 368.44 g/mol, XLogP of 0.87, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-[(2S)-2-(pyrrolidine-1-carbonyl)piperazine-1-carbonyl]-1H-quinolin-2-one is sourced from PubChem (CID 95722562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).