1-[7-chloro-3-(2-chloro-3,5-dimethoxy-6-methylphenyl)-2,6-naphthyridin-1-yl]piperidin-4-ol

C22H23Cl2N3O3 — CID 139395841

IUPAC1-[7-chloro-3-(2-chloro-3,5-dimethoxy-6-methylphenyl)-2,6-naphthyridin-1-yl]piperidin-4-ol
SMILESCOc1cc(OC)c(Cl)c(-c2cc3cnc(Cl)cc3c(N3CCC(O)CC3)n2)c1C
InChIInChI=1S/C22H23Cl2N3O3/c1-12-17(29-2)10-18(30-3)21(24)20(12)16-8-13-11-25-19(23)9-15(13)22(26-16)27-6-4-14(28)5-7-27/h8-11,14,28H,4-7H2,1-3H3
InChIKeyWXHHFRQIJGMNKF-UHFFFAOYSA-N
MW448.35 g/mol
LogP4.89
Rot. Bonds4

About 1-[7-chloro-3-(2-chloro-3,5-dimethoxy-6-methylphenyl)-2,6-naphthyridin-1-yl]piperidin-4-ol

1-[7-chloro-3-(2-chloro-3,5-dimethoxy-6-methylphenyl)-2,6-naphthyridin-1-yl]piperidin-4-ol (PubChem CID 139395841) has the molecular formula C22H23Cl2N3O3 and a molecular weight of 448.35 g/mol. Its IUPAC name is 1-[7-chloro-3-(2-chloro-3,5-dimethoxy-6-methylphenyl)-2,6-naphthyridin-1-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[7-chloro-3-(2-chloro-3,5-dimethoxy-6-methylphenyl)-2,6-naphthyridin-1-yl]piperidin-4-ol
PubChem CID139395841
Molecular FormulaC22H23Cl2N3O3
Molecular Weight448.35 g/mol
Exact Mass447.11
IUPAC Name1-[7-chloro-3-(2-chloro-3,5-dimethoxy-6-methylphenyl)-2,6-naphthyridin-1-yl]piperidin-4-ol
SMILESCOc1cc(OC)c(Cl)c(-c2cc3cnc(Cl)cc3c(N3CCC(O)CC3)n2)c1C
InChIInChI=1S/C22H23Cl2N3O3/c1-12-17(29-2)10-18(30-3)21(24)20(12)16-8-13-11-25-19(23)9-15(13)22(26-16)27-6-4-14(28)5-7-27/h8-11,14,28H,4-7H2,1-3H3
InChIKeyWXHHFRQIJGMNKF-UHFFFAOYSA-N
XLogP4.89
TPSA67.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.35
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[7-chloro-3-(2-chloro-3,5-dimethoxy-6-methylphenyl)-2,6-naphthyridin-1-yl]piperidin-4-ol?
The IUPAC name of 1-[7-chloro-3-(2-chloro-3,5-dimethoxy-6-methylphenyl)-2,6-naphthyridin-1-yl]piperidin-4-ol (CID 139395841) is 1-[7-chloro-3-(2-chloro-3,5-dimethoxy-6-methylphenyl)-2,6-naphthyridin-1-yl]piperidin-4-ol.
What is the SMILES notation for 1-[7-chloro-3-(2-chloro-3,5-dimethoxy-6-methylphenyl)-2,6-naphthyridin-1-yl]piperidin-4-ol?
The canonical SMILES for 1-[7-chloro-3-(2-chloro-3,5-dimethoxy-6-methylphenyl)-2,6-naphthyridin-1-yl]piperidin-4-ol is COc1cc(OC)c(Cl)c(-c2cc3cnc(Cl)cc3c(N3CCC(O)CC3)n2)c1C.
What is the InChIKey of 1-[7-chloro-3-(2-chloro-3,5-dimethoxy-6-methylphenyl)-2,6-naphthyridin-1-yl]piperidin-4-ol?
The InChIKey is WXHHFRQIJGMNKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23Cl2N3O3/c1-12-17(29-2)10-18(30-3)21(24)20(12)16-8-13-11-25-19(23)9-15(13)22(26-16)27-6-4-14(28)5-7-27/h8-11,14,28H,4-7H2,1-3H3.
What are the key properties of 1-[7-chloro-3-(2-chloro-3,5-dimethoxy-6-methylphenyl)-2,6-naphthyridin-1-yl]piperidin-4-ol?
1-[7-chloro-3-(2-chloro-3,5-dimethoxy-6-methylphenyl)-2,6-naphthyridin-1-yl]piperidin-4-ol has a molecular weight of 448.35 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-chloro-3-(2-chloro-3,5-dimethoxy-6-methylphenyl)-2,6-naphthyridin-1-yl]piperidin-4-ol is sourced from PubChem (CID 139395841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).