(6R)-3-(4-methoxyphenyl)-6-propan-2-yl-6,7-dihydro-[1,2,4]triazino[2,3-c]quinazolin-2-one

C20H20N4O2 — CID 98213316

IUPAC(6R)-3-(4-methoxyphenyl)-6-propan-2-yl-6,7-dihydro-[1,2,4]triazino[2,3-c]quinazolin-2-one
SMILESCOc1ccc(-c2nn3c(nc2=O)-c2ccccc2N[C@H]3C(C)C)cc1
InChIInChI=1S/C20H20N4O2/c1-12(2)18-21-16-7-5-4-6-15(16)19-22-20(25)17(23-24(18)19)13-8-10-14(26-3)11-9-13/h4-12,18,21H,1-3H3/t18-/m1/s1
InChIKeyZBFKUJKQPQCBOF-GOSISDBHSA-N
MW348.41 g/mol
LogP3.56
Rot. Bonds3

About (6R)-3-(4-methoxyphenyl)-6-propan-2-yl-6,7-dihydro-[1,2,4]triazino[2,3-c]quinazolin-2-one

(6R)-3-(4-methoxyphenyl)-6-propan-2-yl-6,7-dihydro-[1,2,4]triazino[2,3-c]quinazolin-2-one (PubChem CID 98213316) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is (6R)-3-(4-methoxyphenyl)-6-propan-2-yl-6,7-dihydro-[1,2,4]triazino[2,3-c]quinazolin-2-one.

Molecular Properties

Compound Name(6R)-3-(4-methoxyphenyl)-6-propan-2-yl-6,7-dihydro-[1,2,4]triazino[2,3-c]quinazolin-2-one
PubChem CID98213316
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name(6R)-3-(4-methoxyphenyl)-6-propan-2-yl-6,7-dihydro-[1,2,4]triazino[2,3-c]quinazolin-2-one
SMILESCOc1ccc(-c2nn3c(nc2=O)-c2ccccc2N[C@H]3C(C)C)cc1
InChIInChI=1S/C20H20N4O2/c1-12(2)18-21-16-7-5-4-6-15(16)19-22-20(25)17(23-24(18)19)13-8-10-14(26-3)11-9-13/h4-12,18,21H,1-3H3/t18-/m1/s1
InChIKeyZBFKUJKQPQCBOF-GOSISDBHSA-N
XLogP3.56
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(6S)-6-(2-methoxyphenyl)-3-(4-methylphenyl)-6,7-dihydro-[1,2,4]triazino[2,3-c]quinazolin-2-one
CID 98213300
(6R)-6-(chloromethyl)-3-(4-fluorophenyl)-6,7-dihydro-[1,2,4]triazino[2,3-c]quinazolin-2-one
CID 98282052
(6S)-3-(3,4-dimethylphenyl)-6-propylsulfanyl-6,7-dihydro-[1,2,4]triazino[2,3-c]quinazolin-2-one
CID 98434473
(2R)-N-[2-(dimethylamino)ethyl]-2-[[2-(4-methoxyphenyl)-5,6-dihydro-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]propanamide
CID 156637080
3-(4-propan-2-ylphenyl)spiro[7H-[1,2,4]triazino[2,3-c]quinazoline-6,1'-cyclopentane]-2-one
CID 71913016
2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-2,3-dihydro-1H-quinolin-4-one
CID 102470522
(6R)-3-methyl-6-(trichloromethyl)-6,7-dihydro-[1,2,4]triazino[2,3-c]quinazolin-2-one
CID 95972383
3-(4-fluorophenyl)-6-methyl-2-oxo-7H-[1,2,4]triazino[2,3-c]quinazoline-6-carboxylic acid
CID 86806690
(6R)-3-(4-fluorophenyl)-6-methyl-2-oxo-7H-[1,2,4]triazino[2,3-c]quinazoline-6-carboxylic acid
CID 98300944
2,3-bis(4-methoxyphenyl)-5,5-dimethyl-6H-imidazo[1,2-c]quinazoline
CID 11395802
3-methyl-11-phenyl-1,9,12,13-tetrazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-2,4,6,8,11,15,17,19-octaene-10,21-dione
CID 56806824
5-(4-methoxyphenyl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline
CID 3158652

Frequently Asked Questions

What is the IUPAC name of (6R)-3-(4-methoxyphenyl)-6-propan-2-yl-6,7-dihydro-[1,2,4]triazino[2,3-c]quinazolin-2-one?
The IUPAC name of (6R)-3-(4-methoxyphenyl)-6-propan-2-yl-6,7-dihydro-[1,2,4]triazino[2,3-c]quinazolin-2-one (CID 98213316) is (6R)-3-(4-methoxyphenyl)-6-propan-2-yl-6,7-dihydro-[1,2,4]triazino[2,3-c]quinazolin-2-one.
What is the SMILES notation for (6R)-3-(4-methoxyphenyl)-6-propan-2-yl-6,7-dihydro-[1,2,4]triazino[2,3-c]quinazolin-2-one?
The canonical SMILES for (6R)-3-(4-methoxyphenyl)-6-propan-2-yl-6,7-dihydro-[1,2,4]triazino[2,3-c]quinazolin-2-one is COc1ccc(-c2nn3c(nc2=O)-c2ccccc2N[C@H]3C(C)C)cc1.
What is the InChIKey of (6R)-3-(4-methoxyphenyl)-6-propan-2-yl-6,7-dihydro-[1,2,4]triazino[2,3-c]quinazolin-2-one?
The InChIKey is ZBFKUJKQPQCBOF-GOSISDBHSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-12(2)18-21-16-7-5-4-6-15(16)19-22-20(25)17(23-24(18)19)13-8-10-14(26-3)11-9-13/h4-12,18,21H,1-3H3/t18-/m1/s1.
What are the key properties of (6R)-3-(4-methoxyphenyl)-6-propan-2-yl-6,7-dihydro-[1,2,4]triazino[2,3-c]quinazolin-2-one?
(6R)-3-(4-methoxyphenyl)-6-propan-2-yl-6,7-dihydro-[1,2,4]triazino[2,3-c]quinazolin-2-one has a molecular weight of 348.41 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-3-(4-methoxyphenyl)-6-propan-2-yl-6,7-dihydro-[1,2,4]triazino[2,3-c]quinazolin-2-one is sourced from PubChem (CID 98213316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).