7-[(5-methyl-2-phenyltriazol-4-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one

C19H19N5O — CID 154799602

IUPAC7-[(5-methyl-2-phenyltriazol-4-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one
SMILESCc1nn(-c2ccccc2)nc1CNc1ccc2c(c1)NC(=O)CC2
InChIInChI=1S/C19H19N5O/c1-13-18(23-24(22-13)16-5-3-2-4-6-16)12-20-15-9-7-14-8-10-19(25)21-17(14)11-15/h2-7,9,11,20H,8,10,12H2,1H3,(H,21,25)
InChIKeyQSGCSFBZWAIUCL-UHFFFAOYSA-N
MW333.40 g/mol
LogP3.07
Rot. Bonds4

About 7-[(5-methyl-2-phenyltriazol-4-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one

7-[(5-methyl-2-phenyltriazol-4-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 154799602) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is 7-[(5-methyl-2-phenyltriazol-4-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-[(5-methyl-2-phenyltriazol-4-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one
PubChem CID154799602
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC Name7-[(5-methyl-2-phenyltriazol-4-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one
SMILESCc1nn(-c2ccccc2)nc1CNc1ccc2c(c1)NC(=O)CC2
InChIInChI=1S/C19H19N5O/c1-13-18(23-24(22-13)16-5-3-2-4-6-16)12-20-15-9-7-14-8-10-19(25)21-17(14)11-15/h2-7,9,11,20H,8,10,12H2,1H3,(H,21,25)
InChIKeyQSGCSFBZWAIUCL-UHFFFAOYSA-N
XLogP3.07
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[(5-methyl-2-phenyltriazol-4-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-[(5-methyl-2-phenyltriazol-4-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one (CID 154799602) is 7-[(5-methyl-2-phenyltriazol-4-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-[(5-methyl-2-phenyltriazol-4-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-[(5-methyl-2-phenyltriazol-4-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one is Cc1nn(-c2ccccc2)nc1CNc1ccc2c(c1)NC(=O)CC2.
What is the InChIKey of 7-[(5-methyl-2-phenyltriazol-4-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is QSGCSFBZWAIUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c1-13-18(23-24(22-13)16-5-3-2-4-6-16)12-20-15-9-7-14-8-10-19(25)21-17(14)11-15/h2-7,9,11,20H,8,10,12H2,1H3,(H,21,25).
What are the key properties of 7-[(5-methyl-2-phenyltriazol-4-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one?
7-[(5-methyl-2-phenyltriazol-4-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 333.40 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(5-methyl-2-phenyltriazol-4-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 154799602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).