1-methyl-6-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-1-carbonyl]-3,4-dihydroquinolin-2-one

C18H21N5O2 — CID 138009146

IUPAC1-methyl-6-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-1-carbonyl]-3,4-dihydroquinolin-2-one
SMILESCc1nc([C@H]2CCCN2C(=O)c2ccc3c(c2)CCC(=O)N3C)n[nH]1
InChIInChI=1S/C18H21N5O2/c1-11-19-17(21-20-11)15-4-3-9-23(15)18(25)13-5-7-14-12(10-13)6-8-16(24)22(14)2/h5,7,10,15H,3-4,6,8-9H2,1-2H3,(H,19,20,21)/t15-/m1/s1
InChIKeyLAQYLQAAFFJINR-OAHLLOKOSA-N
MW339.40 g/mol
LogP2.00
Rot. Bonds2

About 1-methyl-6-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-1-carbonyl]-3,4-dihydroquinolin-2-one

1-methyl-6-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-1-carbonyl]-3,4-dihydroquinolin-2-one (PubChem CID 138009146) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 1-methyl-6-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-1-carbonyl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-methyl-6-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-1-carbonyl]-3,4-dihydroquinolin-2-one
PubChem CID138009146
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name1-methyl-6-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-1-carbonyl]-3,4-dihydroquinolin-2-one
SMILESCc1nc([C@H]2CCCN2C(=O)c2ccc3c(c2)CCC(=O)N3C)n[nH]1
InChIInChI=1S/C18H21N5O2/c1-11-19-17(21-20-11)15-4-3-9-23(15)18(25)13-5-7-14-12(10-13)6-8-16(24)22(14)2/h5,7,10,15H,3-4,6,8-9H2,1-2H3,(H,19,20,21)/t15-/m1/s1
InChIKeyLAQYLQAAFFJINR-OAHLLOKOSA-N
XLogP2.00
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-1-carbonyl]-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-methyl-6-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-1-carbonyl]-3,4-dihydroquinolin-2-one (CID 138009146) is 1-methyl-6-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-1-carbonyl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-methyl-6-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-1-carbonyl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-methyl-6-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-1-carbonyl]-3,4-dihydroquinolin-2-one is Cc1nc([C@H]2CCCN2C(=O)c2ccc3c(c2)CCC(=O)N3C)n[nH]1.
What is the InChIKey of 1-methyl-6-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-1-carbonyl]-3,4-dihydroquinolin-2-one?
The InChIKey is LAQYLQAAFFJINR-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-11-19-17(21-20-11)15-4-3-9-23(15)18(25)13-5-7-14-12(10-13)6-8-16(24)22(14)2/h5,7,10,15H,3-4,6,8-9H2,1-2H3,(H,19,20,21)/t15-/m1/s1.
What are the key properties of 1-methyl-6-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-1-carbonyl]-3,4-dihydroquinolin-2-one?
1-methyl-6-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-1-carbonyl]-3,4-dihydroquinolin-2-one has a molecular weight of 339.40 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-1-carbonyl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 138009146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).