(6S)-6-(2-methoxyphenyl)-3-(4-methylphenyl)-6,7-dihydro-[1,2,4]triazino[2,3-c]quinazolin-2-one

C24H20N4O2 — CID 98213300

IUPAC(6S)-6-(2-methoxyphenyl)-3-(4-methylphenyl)-6,7-dihydro-[1,2,4]triazino[2,3-c]quinazolin-2-one
SMILESCOc1ccccc1[C@H]1Nc2ccccc2-c2nc(=O)c(-c3ccc(C)cc3)nn21
InChIInChI=1S/C24H20N4O2/c1-15-11-13-16(14-12-15)21-24(29)26-22-17-7-3-5-9-19(17)25-23(28(22)27-21)18-8-4-6-10-20(18)30-2/h3-14,23,25H,1-2H3/t23-/m0/s1
InChIKeyRLEXXRLKFMBCMI-QHCPKHFHSA-N
MW396.45 g/mol
LogP4.26
Rot. Bonds3

About (6S)-6-(2-methoxyphenyl)-3-(4-methylphenyl)-6,7-dihydro-[1,2,4]triazino[2,3-c]quinazolin-2-one

(6S)-6-(2-methoxyphenyl)-3-(4-methylphenyl)-6,7-dihydro-[1,2,4]triazino[2,3-c]quinazolin-2-one (PubChem CID 98213300) has the molecular formula C24H20N4O2 and a molecular weight of 396.45 g/mol. Its IUPAC name is (6S)-6-(2-methoxyphenyl)-3-(4-methylphenyl)-6,7-dihydro-[1,2,4]triazino[2,3-c]quinazolin-2-one.

Molecular Properties

Compound Name(6S)-6-(2-methoxyphenyl)-3-(4-methylphenyl)-6,7-dihydro-[1,2,4]triazino[2,3-c]quinazolin-2-one
PubChem CID98213300
Molecular FormulaC24H20N4O2
Molecular Weight396.45 g/mol
Exact Mass396.16
IUPAC Name(6S)-6-(2-methoxyphenyl)-3-(4-methylphenyl)-6,7-dihydro-[1,2,4]triazino[2,3-c]quinazolin-2-one
SMILESCOc1ccccc1[C@H]1Nc2ccccc2-c2nc(=O)c(-c3ccc(C)cc3)nn21
InChIInChI=1S/C24H20N4O2/c1-15-11-13-16(14-12-15)21-24(29)26-22-17-7-3-5-9-19(17)25-23(28(22)27-21)18-8-4-6-10-20(18)30-2/h3-14,23,25H,1-2H3/t23-/m0/s1
InChIKeyRLEXXRLKFMBCMI-QHCPKHFHSA-N
XLogP4.26
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (6S)-6-(2-methoxyphenyl)-3-(4-methylphenyl)-6,7-dihydro-[1,2,4]triazino[2,3-c]quinazolin-2-one?
The IUPAC name of (6S)-6-(2-methoxyphenyl)-3-(4-methylphenyl)-6,7-dihydro-[1,2,4]triazino[2,3-c]quinazolin-2-one (CID 98213300) is (6S)-6-(2-methoxyphenyl)-3-(4-methylphenyl)-6,7-dihydro-[1,2,4]triazino[2,3-c]quinazolin-2-one.
What is the SMILES notation for (6S)-6-(2-methoxyphenyl)-3-(4-methylphenyl)-6,7-dihydro-[1,2,4]triazino[2,3-c]quinazolin-2-one?
The canonical SMILES for (6S)-6-(2-methoxyphenyl)-3-(4-methylphenyl)-6,7-dihydro-[1,2,4]triazino[2,3-c]quinazolin-2-one is COc1ccccc1[C@H]1Nc2ccccc2-c2nc(=O)c(-c3ccc(C)cc3)nn21.
What is the InChIKey of (6S)-6-(2-methoxyphenyl)-3-(4-methylphenyl)-6,7-dihydro-[1,2,4]triazino[2,3-c]quinazolin-2-one?
The InChIKey is RLEXXRLKFMBCMI-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H20N4O2/c1-15-11-13-16(14-12-15)21-24(29)26-22-17-7-3-5-9-19(17)25-23(28(22)27-21)18-8-4-6-10-20(18)30-2/h3-14,23,25H,1-2H3/t23-/m0/s1.
What are the key properties of (6S)-6-(2-methoxyphenyl)-3-(4-methylphenyl)-6,7-dihydro-[1,2,4]triazino[2,3-c]quinazolin-2-one?
(6S)-6-(2-methoxyphenyl)-3-(4-methylphenyl)-6,7-dihydro-[1,2,4]triazino[2,3-c]quinazolin-2-one has a molecular weight of 396.45 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-(2-methoxyphenyl)-3-(4-methylphenyl)-6,7-dihydro-[1,2,4]triazino[2,3-c]quinazolin-2-one is sourced from PubChem (CID 98213300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).