1-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-3,4-dihydroquinolin-2-one

C15H18N4O — CID 72847028

IUPAC1-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-3,4-dihydroquinolin-2-one
SMILESCC(C)n1cnnc1CN1C(=O)CCc2ccccc21
InChIInChI=1S/C15H18N4O/c1-11(2)19-10-16-17-14(19)9-18-13-6-4-3-5-12(13)7-8-15(18)20/h3-6,10-11H,7-9H2,1-2H3
InChIKeyPPOVVGHXKFTAQH-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.34
Rot. Bonds3

About 1-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-3,4-dihydroquinolin-2-one

1-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-3,4-dihydroquinolin-2-one (PubChem CID 72847028) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 1-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-3,4-dihydroquinolin-2-one
PubChem CID72847028
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name1-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-3,4-dihydroquinolin-2-one
SMILESCC(C)n1cnnc1CN1C(=O)CCc2ccccc21
InChIInChI=1S/C15H18N4O/c1-11(2)19-10-16-17-14(19)9-18-13-6-4-3-5-12(13)7-8-15(18)20/h3-6,10-11H,7-9H2,1-2H3
InChIKeyPPOVVGHXKFTAQH-UHFFFAOYSA-N
XLogP2.34
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]cyclohexanecarboxamide
CID 45883299
[3-(Dimethylamino)phenyl]-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 53592419
1-[2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-oxoethyl]-4,5-dihydro-3H-1-benzazepin-2-one
CID 53593878
1-(2-methylphenyl)-4-[3-(4-methyl-4H-1,2,4-triazol-3-yl)propanoyl]-1,4-diazepane
CID 70714815
N-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]-N-methyl-3-(4-oxo-3(4H)-quinazolinyl)propanamide
CID 70721495
1-[(3-fluorophenyl)acetyl]-4-[(4-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidine
CID 70722672
2-methyl-4-(2-methylphenyl)-1-[3-(4-methyl-4H-1,2,4-triazol-3-yl)propanoyl]piperazine
CID 70772614
N-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]-N-methyl-2-(4-morpholinyl)benzamide
CID 70787970
1-[3-(1H-tetrazol-1-yl)propyl]-3,4-dihydroquinolin-2(1H)-one
CID 72917705
1-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]quinolin-2(1H)-one
CID 72937455
1-Decyl-6-(1,2,4-triazol-4-yl)-3,4-dihydroquinolin-2-one
CID 76311117
1-Benzyl-6-(1,2,4-triazol-4-yl)-3,4-dihydroquinolin-2-one
CID 76311118

Frequently Asked Questions

What is the IUPAC name of 1-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-3,4-dihydroquinolin-2-one (CID 72847028) is 1-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-3,4-dihydroquinolin-2-one is CC(C)n1cnnc1CN1C(=O)CCc2ccccc21.
What is the InChIKey of 1-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-3,4-dihydroquinolin-2-one?
The InChIKey is PPOVVGHXKFTAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-11(2)19-10-16-17-14(19)9-18-13-6-4-3-5-12(13)7-8-15(18)20/h3-6,10-11H,7-9H2,1-2H3.
What are the key properties of 1-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-3,4-dihydroquinolin-2-one?
1-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-3,4-dihydroquinolin-2-one has a molecular weight of 270.34 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 72847028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).