1,2-dichloro-4-methylbenzene;1,8-naphthyridin-2-yl-(4-piperidin-1-ylpiperidin-1-yl)methanone

C26H30Cl2N4O — CID 143089165

IUPAC1,2-dichloro-4-methylbenzene;1,8-naphthyridin-2-yl-(4-piperidin-1-ylpiperidin-1-yl)methanone
SMILESCc1ccc(Cl)c(Cl)c1.O=C(c1ccc2cccnc2n1)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C19H24N4O.C7H6Cl2/c24-19(17-7-6-15-5-4-10-20-18(15)21-17)23-13-8-16(9-14-23)22-11-2-1-3-12-22;1-5-2-3-6(8)7(9)4-5/h4-7,10,16H,1-3,8-9,11-14H2;2-4H,1H3
InChIKeyHMZISQDJIVOGIT-UHFFFAOYSA-N
MW485.46 g/mol
LogP6.02
Rot. Bonds2

About 1,2-dichloro-4-methylbenzene;1,8-naphthyridin-2-yl-(4-piperidin-1-ylpiperidin-1-yl)methanone

1,2-dichloro-4-methylbenzene;1,8-naphthyridin-2-yl-(4-piperidin-1-ylpiperidin-1-yl)methanone (PubChem CID 143089165) has the molecular formula C26H30Cl2N4O and a molecular weight of 485.46 g/mol. Its IUPAC name is 1,2-dichloro-4-methylbenzene;1,8-naphthyridin-2-yl-(4-piperidin-1-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name1,2-dichloro-4-methylbenzene;1,8-naphthyridin-2-yl-(4-piperidin-1-ylpiperidin-1-yl)methanone
PubChem CID143089165
Molecular FormulaC26H30Cl2N4O
Molecular Weight485.46 g/mol
Exact Mass484.18
IUPAC Name1,2-dichloro-4-methylbenzene;1,8-naphthyridin-2-yl-(4-piperidin-1-ylpiperidin-1-yl)methanone
SMILESCc1ccc(Cl)c(Cl)c1.O=C(c1ccc2cccnc2n1)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C19H24N4O.C7H6Cl2/c24-19(17-7-6-15-5-4-10-20-18(15)21-17)23-13-8-16(9-14-23)22-11-2-1-3-12-22;1-5-2-3-6(8)7(9)4-5/h4-7,10,16H,1-3,8-9,11-14H2;2-4H,1H3
InChIKeyHMZISQDJIVOGIT-UHFFFAOYSA-N
XLogP6.02
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.46
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1,2-dichloro-4-methylbenzene;1,8-naphthyridin-2-yl-(4-piperidin-1-ylpiperidin-1-yl)methanone 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 1,2-dichloro-4-methylbenzene;1,8-naphthyridin-2-yl-(4-piperidin-1-ylpiperidin-1-yl)methanone?
The IUPAC name of 1,2-dichloro-4-methylbenzene;1,8-naphthyridin-2-yl-(4-piperidin-1-ylpiperidin-1-yl)methanone (CID 143089165) is 1,2-dichloro-4-methylbenzene;1,8-naphthyridin-2-yl-(4-piperidin-1-ylpiperidin-1-yl)methanone.
What is the SMILES notation for 1,2-dichloro-4-methylbenzene;1,8-naphthyridin-2-yl-(4-piperidin-1-ylpiperidin-1-yl)methanone?
The canonical SMILES for 1,2-dichloro-4-methylbenzene;1,8-naphthyridin-2-yl-(4-piperidin-1-ylpiperidin-1-yl)methanone is Cc1ccc(Cl)c(Cl)c1.O=C(c1ccc2cccnc2n1)N1CCC(N2CCCCC2)CC1.
What is the InChIKey of 1,2-dichloro-4-methylbenzene;1,8-naphthyridin-2-yl-(4-piperidin-1-ylpiperidin-1-yl)methanone?
The InChIKey is HMZISQDJIVOGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O.C7H6Cl2/c24-19(17-7-6-15-5-4-10-20-18(15)21-17)23-13-8-16(9-14-23)22-11-2-1-3-12-22;1-5-2-3-6(8)7(9)4-5/h4-7,10,16H,1-3,8-9,11-14H2;2-4H,1H3.
What are the key properties of 1,2-dichloro-4-methylbenzene;1,8-naphthyridin-2-yl-(4-piperidin-1-ylpiperidin-1-yl)methanone?
1,2-dichloro-4-methylbenzene;1,8-naphthyridin-2-yl-(4-piperidin-1-ylpiperidin-1-yl)methanone has a molecular weight of 485.46 g/mol, XLogP of 6.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-4-methylbenzene;1,8-naphthyridin-2-yl-(4-piperidin-1-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 143089165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).