3-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-1-[2-[2-(dimethylamino)ethoxy]ethyl]-1,6-naphthyridin-2-one

C26H27ClN4O2 — CID 175679305

IUPAC3-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-1-[2-[2-(dimethylamino)ethoxy]ethyl]-1,6-naphthyridin-2-one
SMILESCc1cccc(-c2ccc(-c3cc4cnccc4n(CCOCCN(C)C)c3=O)c(Cl)c2)n1
InChIInChI=1S/C26H27ClN4O2/c1-18-5-4-6-24(29-18)19-7-8-21(23(27)16-19)22-15-20-17-28-10-9-25(20)31(26(22)32)12-14-33-13-11-30(2)3/h4-10,15-17H,11-14H2,1-3H3
InChIKeyNPOXYSJSLYNRSE-UHFFFAOYSA-N
MW462.98 g/mol
LogP4.67
Rot. Bonds8

About 3-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-1-[2-[2-(dimethylamino)ethoxy]ethyl]-1,6-naphthyridin-2-one

3-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-1-[2-[2-(dimethylamino)ethoxy]ethyl]-1,6-naphthyridin-2-one (PubChem CID 175679305) has the molecular formula C26H27ClN4O2 and a molecular weight of 462.98 g/mol. Its IUPAC name is 3-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-1-[2-[2-(dimethylamino)ethoxy]ethyl]-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name3-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-1-[2-[2-(dimethylamino)ethoxy]ethyl]-1,6-naphthyridin-2-one
PubChem CID175679305
Molecular FormulaC26H27ClN4O2
Molecular Weight462.98 g/mol
Exact Mass462.18
IUPAC Name3-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-1-[2-[2-(dimethylamino)ethoxy]ethyl]-1,6-naphthyridin-2-one
SMILESCc1cccc(-c2ccc(-c3cc4cnccc4n(CCOCCN(C)C)c3=O)c(Cl)c2)n1
InChIInChI=1S/C26H27ClN4O2/c1-18-5-4-6-24(29-18)19-7-8-21(23(27)16-19)22-15-20-17-28-10-9-25(20)31(26(22)32)12-14-33-13-11-30(2)3/h4-10,15-17H,11-14H2,1-3H3
InChIKeyNPOXYSJSLYNRSE-UHFFFAOYSA-N
XLogP4.67
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.98
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-1-[2-[2-(dimethylamino)ethoxy]ethyl]-1,6-naphthyridin-2-one?
The IUPAC name of 3-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-1-[2-[2-(dimethylamino)ethoxy]ethyl]-1,6-naphthyridin-2-one (CID 175679305) is 3-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-1-[2-[2-(dimethylamino)ethoxy]ethyl]-1,6-naphthyridin-2-one.
What is the SMILES notation for 3-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-1-[2-[2-(dimethylamino)ethoxy]ethyl]-1,6-naphthyridin-2-one?
The canonical SMILES for 3-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-1-[2-[2-(dimethylamino)ethoxy]ethyl]-1,6-naphthyridin-2-one is Cc1cccc(-c2ccc(-c3cc4cnccc4n(CCOCCN(C)C)c3=O)c(Cl)c2)n1.
What is the InChIKey of 3-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-1-[2-[2-(dimethylamino)ethoxy]ethyl]-1,6-naphthyridin-2-one?
The InChIKey is NPOXYSJSLYNRSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN4O2/c1-18-5-4-6-24(29-18)19-7-8-21(23(27)16-19)22-15-20-17-28-10-9-25(20)31(26(22)32)12-14-33-13-11-30(2)3/h4-10,15-17H,11-14H2,1-3H3.
What are the key properties of 3-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-1-[2-[2-(dimethylamino)ethoxy]ethyl]-1,6-naphthyridin-2-one?
3-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-1-[2-[2-(dimethylamino)ethoxy]ethyl]-1,6-naphthyridin-2-one has a molecular weight of 462.98 g/mol, XLogP of 4.67, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-1-[2-[2-(dimethylamino)ethoxy]ethyl]-1,6-naphthyridin-2-one is sourced from PubChem (CID 175679305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).