1,7,8-trimethyl-3-pyrrolidin-3-ylquinolin-2-one

C16H20N2O — CID 84636026

IUPAC1,7,8-trimethyl-3-pyrrolidin-3-ylquinolin-2-one
SMILESCc1ccc2cc(C3CCNC3)c(=O)n(C)c2c1C
InChIInChI=1S/C16H20N2O/c1-10-4-5-12-8-14(13-6-7-17-9-13)16(19)18(3)15(12)11(10)2/h4-5,8,13,17H,6-7,9H2,1-3H3
InChIKeyDHYJVXKOTFAVQH-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.23
Rot. Bonds1

About 1,7,8-trimethyl-3-pyrrolidin-3-ylquinolin-2-one

1,7,8-trimethyl-3-pyrrolidin-3-ylquinolin-2-one (PubChem CID 84636026) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 1,7,8-trimethyl-3-pyrrolidin-3-ylquinolin-2-one.

Molecular Properties

Compound Name1,7,8-trimethyl-3-pyrrolidin-3-ylquinolin-2-one
PubChem CID84636026
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name1,7,8-trimethyl-3-pyrrolidin-3-ylquinolin-2-one
SMILESCc1ccc2cc(C3CCNC3)c(=O)n(C)c2c1C
InChIInChI=1S/C16H20N2O/c1-10-4-5-12-8-14(13-6-7-17-9-13)16(19)18(3)15(12)11(10)2/h4-5,8,13,17H,6-7,9H2,1-3H3
InChIKeyDHYJVXKOTFAVQH-UHFFFAOYSA-N
XLogP2.23
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,8-dimethyl-3-pyrrolidin-3-ylquinolin-2-one
CID 84630283
1,6,7-trimethyl-2-pyrrolidin-3-ylindole
CID 84625616
6-chloro-1,7-dimethyl-2-pyrrolidin-3-ylindole
CID 84633378
1,4,5-trimethyl-3-pyrrolidin-3-ylbenzimidazol-2-one
CID 84632027
3-(5-bromo-2-methylphenyl)pyrrolidine
CID 82388123
3-(5-fluoro-2-methylphenyl)pyrrolidine;hydrochloride
CID 169498179
4-methyl-3-pyrrolidin-3-ylbenzoic acid
CID 170156424
1,8-dimethyl-3-piperidin-4-yl-6H-pyrido[2,3-d]pyridazine-2,5-dione;hydrochloride
CID 168985367
2-methyl-5-pyrrolidin-3-ylbenzene-1,4-diol
CID 117283580
3-(3-methoxy-2,4-dimethylphenyl)pyrrolidine
CID 117293921
3-(3-ethyl-4-methylphenyl)pyrrolidine
CID 84662276
3-[2-(3,4-dimethylphenyl)phenyl]pyrrolidine
CID 46205703

Frequently Asked Questions

What is the IUPAC name of 1,7,8-trimethyl-3-pyrrolidin-3-ylquinolin-2-one?
The IUPAC name of 1,7,8-trimethyl-3-pyrrolidin-3-ylquinolin-2-one (CID 84636026) is 1,7,8-trimethyl-3-pyrrolidin-3-ylquinolin-2-one.
What is the SMILES notation for 1,7,8-trimethyl-3-pyrrolidin-3-ylquinolin-2-one?
The canonical SMILES for 1,7,8-trimethyl-3-pyrrolidin-3-ylquinolin-2-one is Cc1ccc2cc(C3CCNC3)c(=O)n(C)c2c1C.
What is the InChIKey of 1,7,8-trimethyl-3-pyrrolidin-3-ylquinolin-2-one?
The InChIKey is DHYJVXKOTFAVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-10-4-5-12-8-14(13-6-7-17-9-13)16(19)18(3)15(12)11(10)2/h4-5,8,13,17H,6-7,9H2,1-3H3.
What are the key properties of 1,7,8-trimethyl-3-pyrrolidin-3-ylquinolin-2-one?
1,7,8-trimethyl-3-pyrrolidin-3-ylquinolin-2-one has a molecular weight of 256.35 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7,8-trimethyl-3-pyrrolidin-3-ylquinolin-2-one is sourced from PubChem (CID 84636026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).