7-(1-tert-butylpiperidin-4-yl)-5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-1,6-naphthyridin-2-one

C29H28Cl3N3O — CID 22648115

IUPAC7-(1-tert-butylpiperidin-4-yl)-5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-1,6-naphthyridin-2-one
SMILESCC(C)(C)N1CCC(c2cc3c(ccc(=O)n3-c3c(Cl)cccc3Cl)c(-c3ccccc3Cl)n2)CC1
InChIInChI=1S/C29H28Cl3N3O/c1-29(2,3)34-15-13-18(14-16-34)24-17-25-20(27(33-24)19-7-4-5-8-21(19)30)11-12-26(36)35(25)28-22(31)9-6-10-23(28)32/h4-12,17-18H,13-16H2,1-3H3
InChIKeySIEBMZODRMQBDT-UHFFFAOYSA-N
MW540.92 g/mol
LogP7.99
Rot. Bonds3

About 7-(1-tert-butylpiperidin-4-yl)-5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-1,6-naphthyridin-2-one

7-(1-tert-butylpiperidin-4-yl)-5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-1,6-naphthyridin-2-one (PubChem CID 22648115) has the molecular formula C29H28Cl3N3O and a molecular weight of 540.92 g/mol. Its IUPAC name is 7-(1-tert-butylpiperidin-4-yl)-5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name7-(1-tert-butylpiperidin-4-yl)-5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-1,6-naphthyridin-2-one
PubChem CID22648115
Molecular FormulaC29H28Cl3N3O
Molecular Weight540.92 g/mol
Exact Mass539.13
IUPAC Name7-(1-tert-butylpiperidin-4-yl)-5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-1,6-naphthyridin-2-one
SMILESCC(C)(C)N1CCC(c2cc3c(ccc(=O)n3-c3c(Cl)cccc3Cl)c(-c3ccccc3Cl)n2)CC1
InChIInChI=1S/C29H28Cl3N3O/c1-29(2,3)34-15-13-18(14-16-34)24-17-25-20(27(33-24)19-7-4-5-8-21(19)30)11-12-26(36)35(25)28-22(31)9-6-10-23(28)32/h4-12,17-18H,13-16H2,1-3H3
InChIKeySIEBMZODRMQBDT-UHFFFAOYSA-N
XLogP7.99
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.92
LogP ≤ 57.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-(1-tert-butylpiperidin-4-yl)-5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-1,6-naphthyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(1-tert-butylpiperidin-4-yl)-5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-1,6-naphthyridin-2-one?
The IUPAC name of 7-(1-tert-butylpiperidin-4-yl)-5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-1,6-naphthyridin-2-one (CID 22648115) is 7-(1-tert-butylpiperidin-4-yl)-5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-1,6-naphthyridin-2-one.
What is the SMILES notation for 7-(1-tert-butylpiperidin-4-yl)-5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-1,6-naphthyridin-2-one?
The canonical SMILES for 7-(1-tert-butylpiperidin-4-yl)-5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-1,6-naphthyridin-2-one is CC(C)(C)N1CCC(c2cc3c(ccc(=O)n3-c3c(Cl)cccc3Cl)c(-c3ccccc3Cl)n2)CC1.
What is the InChIKey of 7-(1-tert-butylpiperidin-4-yl)-5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-1,6-naphthyridin-2-one?
The InChIKey is SIEBMZODRMQBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28Cl3N3O/c1-29(2,3)34-15-13-18(14-16-34)24-17-25-20(27(33-24)19-7-4-5-8-21(19)30)11-12-26(36)35(25)28-22(31)9-6-10-23(28)32/h4-12,17-18H,13-16H2,1-3H3.
What are the key properties of 7-(1-tert-butylpiperidin-4-yl)-5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-1,6-naphthyridin-2-one?
7-(1-tert-butylpiperidin-4-yl)-5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-1,6-naphthyridin-2-one has a molecular weight of 540.92 g/mol, XLogP of 7.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-tert-butylpiperidin-4-yl)-5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-1,6-naphthyridin-2-one is sourced from PubChem (CID 22648115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).