4-(3-chlorophenyl)-6-[(S)-(4-chlorophenyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-1-methyl-1,7-naphthyridin-2-one

C25H19Cl2N5O2 — CID 46206579

IUPAC4-(3-chlorophenyl)-6-[(S)-(4-chlorophenyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-1-methyl-1,7-naphthyridin-2-one
SMILESCn1nncc1[C@@](O)(c1ccc(Cl)cc1)c1cc2c(-c3cccc(Cl)c3)cc(=O)n(C)c2cn1
InChIInChI=1S/C25H19Cl2N5O2/c1-31-21-13-28-22(11-20(21)19(12-24(31)33)15-4-3-5-18(27)10-15)25(34,23-14-29-30-32(23)2)16-6-8-17(26)9-7-16/h3-14,34H,1-2H3/t25-/m1/s1
InChIKeyKMHOCUGDKFRLQF-RUZDIDTESA-N
MW492.37 g/mol
LogP4.32
Rot. Bonds4

About 4-(3-chlorophenyl)-6-[(S)-(4-chlorophenyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-1-methyl-1,7-naphthyridin-2-one

4-(3-chlorophenyl)-6-[(S)-(4-chlorophenyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-1-methyl-1,7-naphthyridin-2-one (PubChem CID 46206579) has the molecular formula C25H19Cl2N5O2 and a molecular weight of 492.37 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-6-[(S)-(4-chlorophenyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-1-methyl-1,7-naphthyridin-2-one.

Molecular Properties

Compound Name4-(3-chlorophenyl)-6-[(S)-(4-chlorophenyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-1-methyl-1,7-naphthyridin-2-one
PubChem CID46206579
Molecular FormulaC25H19Cl2N5O2
Molecular Weight492.37 g/mol
Exact Mass491.09
IUPAC Name4-(3-chlorophenyl)-6-[(S)-(4-chlorophenyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-1-methyl-1,7-naphthyridin-2-one
SMILESCn1nncc1[C@@](O)(c1ccc(Cl)cc1)c1cc2c(-c3cccc(Cl)c3)cc(=O)n(C)c2cn1
InChIInChI=1S/C25H19Cl2N5O2/c1-31-21-13-28-22(11-20(21)19(12-24(31)33)15-4-3-5-18(27)10-15)25(34,23-14-29-30-32(23)2)16-6-8-17(26)9-7-16/h3-14,34H,1-2H3/t25-/m1/s1
InChIKeyKMHOCUGDKFRLQF-RUZDIDTESA-N
XLogP4.32
TPSA85.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.37
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-6-[(S)-(4-chlorophenyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-1-methyl-1,7-naphthyridin-2-one?
The IUPAC name of 4-(3-chlorophenyl)-6-[(S)-(4-chlorophenyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-1-methyl-1,7-naphthyridin-2-one (CID 46206579) is 4-(3-chlorophenyl)-6-[(S)-(4-chlorophenyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-1-methyl-1,7-naphthyridin-2-one.
What is the SMILES notation for 4-(3-chlorophenyl)-6-[(S)-(4-chlorophenyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-1-methyl-1,7-naphthyridin-2-one?
The canonical SMILES for 4-(3-chlorophenyl)-6-[(S)-(4-chlorophenyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-1-methyl-1,7-naphthyridin-2-one is Cn1nncc1[C@@](O)(c1ccc(Cl)cc1)c1cc2c(-c3cccc(Cl)c3)cc(=O)n(C)c2cn1.
What is the InChIKey of 4-(3-chlorophenyl)-6-[(S)-(4-chlorophenyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-1-methyl-1,7-naphthyridin-2-one?
The InChIKey is KMHOCUGDKFRLQF-RUZDIDTESA-N. The full InChI is InChI=1S/C25H19Cl2N5O2/c1-31-21-13-28-22(11-20(21)19(12-24(31)33)15-4-3-5-18(27)10-15)25(34,23-14-29-30-32(23)2)16-6-8-17(26)9-7-16/h3-14,34H,1-2H3/t25-/m1/s1.
What are the key properties of 4-(3-chlorophenyl)-6-[(S)-(4-chlorophenyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-1-methyl-1,7-naphthyridin-2-one?
4-(3-chlorophenyl)-6-[(S)-(4-chlorophenyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-1-methyl-1,7-naphthyridin-2-one has a molecular weight of 492.37 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-6-[(S)-(4-chlorophenyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-1-methyl-1,7-naphthyridin-2-one is sourced from PubChem (CID 46206579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).