(5R)-5-(4-chlorophenyl)-2-(4-methoxyphenyl)-5-methyl-6H-[1,2,4]triazolo[1,5-c]quinazoline

C23H19ClN4O — CID 137124871

IUPAC(5R)-5-(4-chlorophenyl)-2-(4-methoxyphenyl)-5-methyl-6H-[1,2,4]triazolo[1,5-c]quinazoline
SMILESCOc1ccc(-c2nc3n(n2)[C@](C)(c2ccc(Cl)cc2)Nc2ccccc2-3)cc1
InChIInChI=1S/C23H19ClN4O/c1-23(16-9-11-17(24)12-10-16)26-20-6-4-3-5-19(20)22-25-21(27-28(22)23)15-7-13-18(29-2)14-8-15/h3-14,26H,1-2H3/t23-/m1/s1
InChIKeyFJQUYCAFXXQQMR-HSZRJFAPSA-N
MW402.89 g/mol
LogP5.42
Rot. Bonds3

About (5R)-5-(4-chlorophenyl)-2-(4-methoxyphenyl)-5-methyl-6H-[1,2,4]triazolo[1,5-c]quinazoline

(5R)-5-(4-chlorophenyl)-2-(4-methoxyphenyl)-5-methyl-6H-[1,2,4]triazolo[1,5-c]quinazoline (PubChem CID 137124871) has the molecular formula C23H19ClN4O and a molecular weight of 402.89 g/mol. Its IUPAC name is (5R)-5-(4-chlorophenyl)-2-(4-methoxyphenyl)-5-methyl-6H-[1,2,4]triazolo[1,5-c]quinazoline.

Molecular Properties

Compound Name(5R)-5-(4-chlorophenyl)-2-(4-methoxyphenyl)-5-methyl-6H-[1,2,4]triazolo[1,5-c]quinazoline
PubChem CID137124871
Molecular FormulaC23H19ClN4O
Molecular Weight402.89 g/mol
Exact Mass402.12
IUPAC Name(5R)-5-(4-chlorophenyl)-2-(4-methoxyphenyl)-5-methyl-6H-[1,2,4]triazolo[1,5-c]quinazoline
SMILESCOc1ccc(-c2nc3n(n2)[C@](C)(c2ccc(Cl)cc2)Nc2ccccc2-3)cc1
InChIInChI=1S/C23H19ClN4O/c1-23(16-9-11-17(24)12-10-16)26-20-6-4-3-5-19(20)22-25-21(27-28(22)23)15-7-13-18(29-2)14-8-15/h3-14,26H,1-2H3/t23-/m1/s1
InChIKeyFJQUYCAFXXQQMR-HSZRJFAPSA-N
XLogP5.42
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.89
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-(4-chlorophenyl)-2-(4-methoxyphenyl)-5-methyl-6H-[1,2,4]triazolo[1,5-c]quinazoline?
The IUPAC name of (5R)-5-(4-chlorophenyl)-2-(4-methoxyphenyl)-5-methyl-6H-[1,2,4]triazolo[1,5-c]quinazoline (CID 137124871) is (5R)-5-(4-chlorophenyl)-2-(4-methoxyphenyl)-5-methyl-6H-[1,2,4]triazolo[1,5-c]quinazoline.
What is the SMILES notation for (5R)-5-(4-chlorophenyl)-2-(4-methoxyphenyl)-5-methyl-6H-[1,2,4]triazolo[1,5-c]quinazoline?
The canonical SMILES for (5R)-5-(4-chlorophenyl)-2-(4-methoxyphenyl)-5-methyl-6H-[1,2,4]triazolo[1,5-c]quinazoline is COc1ccc(-c2nc3n(n2)[C@](C)(c2ccc(Cl)cc2)Nc2ccccc2-3)cc1.
What is the InChIKey of (5R)-5-(4-chlorophenyl)-2-(4-methoxyphenyl)-5-methyl-6H-[1,2,4]triazolo[1,5-c]quinazoline?
The InChIKey is FJQUYCAFXXQQMR-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H19ClN4O/c1-23(16-9-11-17(24)12-10-16)26-20-6-4-3-5-19(20)22-25-21(27-28(22)23)15-7-13-18(29-2)14-8-15/h3-14,26H,1-2H3/t23-/m1/s1.
What are the key properties of (5R)-5-(4-chlorophenyl)-2-(4-methoxyphenyl)-5-methyl-6H-[1,2,4]triazolo[1,5-c]quinazoline?
(5R)-5-(4-chlorophenyl)-2-(4-methoxyphenyl)-5-methyl-6H-[1,2,4]triazolo[1,5-c]quinazoline has a molecular weight of 402.89 g/mol, XLogP of 5.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(4-chlorophenyl)-2-(4-methoxyphenyl)-5-methyl-6H-[1,2,4]triazolo[1,5-c]quinazoline is sourced from PubChem (CID 137124871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).