3-(2-chlorophenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one

C27H30ClN5O2 — CID 118400030

IUPAC3-(2-chlorophenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one
SMILESCCN(CC)CCOc1ccc(Nc2cc3c(cn2)cc(-c2ccccc2Cl)c(=O)n3CC)nc1
InChIInChI=1S/C27H30ClN5O2/c1-4-32(5-2)13-14-35-20-11-12-25(30-18-20)31-26-16-24-19(17-29-26)15-22(27(34)33(24)6-3)21-9-7-8-10-23(21)28/h7-12,15-18H,4-6,13-14H2,1-3H3,(H,29,30,31)
InChIKeyVDKCHFSJNNGIJW-UHFFFAOYSA-N
MW492.02 g/mol
LogP5.60
Rot. Bonds10

About 3-(2-chlorophenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one

3-(2-chlorophenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one (PubChem CID 118400030) has the molecular formula C27H30ClN5O2 and a molecular weight of 492.02 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name3-(2-chlorophenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one
PubChem CID118400030
Molecular FormulaC27H30ClN5O2
Molecular Weight492.02 g/mol
Exact Mass491.21
IUPAC Name3-(2-chlorophenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one
SMILESCCN(CC)CCOc1ccc(Nc2cc3c(cn2)cc(-c2ccccc2Cl)c(=O)n3CC)nc1
InChIInChI=1S/C27H30ClN5O2/c1-4-32(5-2)13-14-35-20-11-12-25(30-18-20)31-26-16-24-19(17-29-26)15-22(27(34)33(24)6-3)21-9-7-8-10-23(21)28/h7-12,15-18H,4-6,13-14H2,1-3H3,(H,29,30,31)
InChIKeyVDKCHFSJNNGIJW-UHFFFAOYSA-N
XLogP5.60
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.02
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(2-chlorophenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-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 3-(2-chlorophenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one?
The IUPAC name of 3-(2-chlorophenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one (CID 118400030) is 3-(2-chlorophenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one.
What is the SMILES notation for 3-(2-chlorophenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one?
The canonical SMILES for 3-(2-chlorophenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one is CCN(CC)CCOc1ccc(Nc2cc3c(cn2)cc(-c2ccccc2Cl)c(=O)n3CC)nc1.
What is the InChIKey of 3-(2-chlorophenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one?
The InChIKey is VDKCHFSJNNGIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30ClN5O2/c1-4-32(5-2)13-14-35-20-11-12-25(30-18-20)31-26-16-24-19(17-29-26)15-22(27(34)33(24)6-3)21-9-7-8-10-23(21)28/h7-12,15-18H,4-6,13-14H2,1-3H3,(H,29,30,31).
What are the key properties of 3-(2-chlorophenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one?
3-(2-chlorophenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one has a molecular weight of 492.02 g/mol, XLogP of 5.60, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one is sourced from PubChem (CID 118400030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).