4-[(3R,4S)-3-amino-4-cyclopropylpyrrolidine-1-carbonyl]-6-methyl-1H-quinolin-2-one

C18H21N3O2 — CID 72879693

IUPAC4-[(3R,4S)-3-amino-4-cyclopropylpyrrolidine-1-carbonyl]-6-methyl-1H-quinolin-2-one
SMILESCc1ccc2[nH]c(=O)cc(C(=O)N3C[C@H](C4CC4)[C@@H](N)C3)c2c1
InChIInChI=1S/C18H21N3O2/c1-10-2-5-16-12(6-10)13(7-17(22)20-16)18(23)21-8-14(11-3-4-11)15(19)9-21/h2,5-7,11,14-15H,3-4,8-9,19H2,1H3,(H,20,22)/t14-,15+/m1/s1
InChIKeyRGYSRKAAAKEWQC-CABCVRRESA-N
MW311.38 g/mol
LogP1.65
Rot. Bonds2

About 4-[(3R,4S)-3-amino-4-cyclopropylpyrrolidine-1-carbonyl]-6-methyl-1H-quinolin-2-one

4-[(3R,4S)-3-amino-4-cyclopropylpyrrolidine-1-carbonyl]-6-methyl-1H-quinolin-2-one (PubChem CID 72879693) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is 4-[(3R,4S)-3-amino-4-cyclopropylpyrrolidine-1-carbonyl]-6-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name4-[(3R,4S)-3-amino-4-cyclopropylpyrrolidine-1-carbonyl]-6-methyl-1H-quinolin-2-one
PubChem CID72879693
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name4-[(3R,4S)-3-amino-4-cyclopropylpyrrolidine-1-carbonyl]-6-methyl-1H-quinolin-2-one
SMILESCc1ccc2[nH]c(=O)cc(C(=O)N3C[C@H](C4CC4)[C@@H](N)C3)c2c1
InChIInChI=1S/C18H21N3O2/c1-10-2-5-16-12(6-10)13(7-17(22)20-16)18(23)21-8-14(11-3-4-11)15(19)9-21/h2,5-7,11,14-15H,3-4,8-9,19H2,1H3,(H,20,22)/t14-,15+/m1/s1
InChIKeyRGYSRKAAAKEWQC-CABCVRRESA-N
XLogP1.65
TPSA79.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3R,4S)-3-amino-4-cyclopropylpyrrolidine-1-carbonyl]-6-methyl-1H-quinolin-4-one
CID 72875102
(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
4-[8-(3,4-difluorophenyl)-3,8-diazabicyclo[3.2.1]octane-3-carbonyl]-6-methyl-1H-quinolin-2-one
CID 167441147
6-[(3S,4R)-3-amino-4-cyclopropylpyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 133117266
6-[(3R,4S)-3-amino-4-cyclopropylpyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 72912015
4-[(3aS,5R,6R,7aR)-5-(dimethylamino)-6-methoxy-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carbonyl]-6-methyl-1H-quinolin-2-one
CID 172656090
4-[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-1-carbonyl]-6-methyl-1H-quinolin-2-one
CID 135087596
6-methyl-4-(3-oxa-9-azaspiro[5.5]undecane-9-carbonyl)-1H-quinolin-2-one
CID 121499593
4-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidine-1-carbonyl]-6-methyl-1H-quinolin-2-one
CID 95558519
4-[(3S)-3-aminopyrrolidine-1-carbonyl]-6-bromo-1H-quinolin-2-one
CID 119934390
6-methyl-4-[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane-9-carbonyl]-1H-quinolin-2-one
CID 135107759
methyl (2S)-1-(6-methyl-2-oxo-1H-quinoline-4-carbonyl)pyrrolidine-2-carboxylate
CID 95123862

Frequently Asked Questions

What is the IUPAC name of 4-[(3R,4S)-3-amino-4-cyclopropylpyrrolidine-1-carbonyl]-6-methyl-1H-quinolin-2-one?
The IUPAC name of 4-[(3R,4S)-3-amino-4-cyclopropylpyrrolidine-1-carbonyl]-6-methyl-1H-quinolin-2-one (CID 72879693) is 4-[(3R,4S)-3-amino-4-cyclopropylpyrrolidine-1-carbonyl]-6-methyl-1H-quinolin-2-one.
What is the SMILES notation for 4-[(3R,4S)-3-amino-4-cyclopropylpyrrolidine-1-carbonyl]-6-methyl-1H-quinolin-2-one?
The canonical SMILES for 4-[(3R,4S)-3-amino-4-cyclopropylpyrrolidine-1-carbonyl]-6-methyl-1H-quinolin-2-one is Cc1ccc2[nH]c(=O)cc(C(=O)N3C[C@H](C4CC4)[C@@H](N)C3)c2c1.
What is the InChIKey of 4-[(3R,4S)-3-amino-4-cyclopropylpyrrolidine-1-carbonyl]-6-methyl-1H-quinolin-2-one?
The InChIKey is RGYSRKAAAKEWQC-CABCVRRESA-N. The full InChI is InChI=1S/C18H21N3O2/c1-10-2-5-16-12(6-10)13(7-17(22)20-16)18(23)21-8-14(11-3-4-11)15(19)9-21/h2,5-7,11,14-15H,3-4,8-9,19H2,1H3,(H,20,22)/t14-,15+/m1/s1.
What are the key properties of 4-[(3R,4S)-3-amino-4-cyclopropylpyrrolidine-1-carbonyl]-6-methyl-1H-quinolin-2-one?
4-[(3R,4S)-3-amino-4-cyclopropylpyrrolidine-1-carbonyl]-6-methyl-1H-quinolin-2-one has a molecular weight of 311.38 g/mol, XLogP of 1.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R,4S)-3-amino-4-cyclopropylpyrrolidine-1-carbonyl]-6-methyl-1H-quinolin-2-one is sourced from PubChem (CID 72879693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).