3,3-dimethyl-4-[2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetyl]-1H-quinoxalin-2-one

C21H26N4O2 — CID 8974382

IUPAC3,3-dimethyl-4-[2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetyl]-1H-quinoxalin-2-one
SMILESCn1cccc1[C@H]1CCCN1CC(=O)N1c2ccccc2NC(=O)C1(C)C
InChIInChI=1S/C21H26N4O2/c1-21(2)20(27)22-15-8-4-5-9-16(15)25(21)19(26)14-24-13-7-11-18(24)17-10-6-12-23(17)3/h4-6,8-10,12,18H,7,11,13-14H2,1-3H3,(H,22,27)/t18-/m1/s1
InChIKeyLFQBQQDHJXAIKQ-GOSISDBHSA-N
MW366.47 g/mol
LogP2.93
Rot. Bonds3

About 3,3-dimethyl-4-[2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetyl]-1H-quinoxalin-2-one

3,3-dimethyl-4-[2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetyl]-1H-quinoxalin-2-one (PubChem CID 8974382) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 3,3-dimethyl-4-[2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetyl]-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3,3-dimethyl-4-[2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetyl]-1H-quinoxalin-2-one
PubChem CID8974382
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name3,3-dimethyl-4-[2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetyl]-1H-quinoxalin-2-one
SMILESCn1cccc1[C@H]1CCCN1CC(=O)N1c2ccccc2NC(=O)C1(C)C
InChIInChI=1S/C21H26N4O2/c1-21(2)20(27)22-15-8-4-5-9-16(15)25(21)19(26)14-24-13-7-11-18(24)17-10-6-12-23(17)3/h4-6,8-10,12,18H,7,11,13-14H2,1-3H3,(H,22,27)/t18-/m1/s1
InChIKeyLFQBQQDHJXAIKQ-GOSISDBHSA-N
XLogP2.93
TPSA57.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-[2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetyl]-1H-quinoxalin-2-one?
The IUPAC name of 3,3-dimethyl-4-[2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetyl]-1H-quinoxalin-2-one (CID 8974382) is 3,3-dimethyl-4-[2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetyl]-1H-quinoxalin-2-one.
What is the SMILES notation for 3,3-dimethyl-4-[2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetyl]-1H-quinoxalin-2-one?
The canonical SMILES for 3,3-dimethyl-4-[2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetyl]-1H-quinoxalin-2-one is Cn1cccc1[C@H]1CCCN1CC(=O)N1c2ccccc2NC(=O)C1(C)C.
What is the InChIKey of 3,3-dimethyl-4-[2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetyl]-1H-quinoxalin-2-one?
The InChIKey is LFQBQQDHJXAIKQ-GOSISDBHSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-21(2)20(27)22-15-8-4-5-9-16(15)25(21)19(26)14-24-13-7-11-18(24)17-10-6-12-23(17)3/h4-6,8-10,12,18H,7,11,13-14H2,1-3H3,(H,22,27)/t18-/m1/s1.
What are the key properties of 3,3-dimethyl-4-[2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetyl]-1H-quinoxalin-2-one?
3,3-dimethyl-4-[2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetyl]-1H-quinoxalin-2-one has a molecular weight of 366.47 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-[2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetyl]-1H-quinoxalin-2-one is sourced from PubChem (CID 8974382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).