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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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).