3-(2,6-dichlorophenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-(oxolan-3-yl)-1,6-naphthyridin-2-one

C29H31Cl2N5O3 — CID 118271406

IUPAC3-(2,6-dichlorophenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-(oxolan-3-yl)-1,6-naphthyridin-2-one
SMILESCCN(CC)CCOc1ccc(Nc2cc3c(cn2)cc(-c2c(Cl)cccc2Cl)c(=O)n3C2CCOC2)nc1
InChIInChI=1S/C29H31Cl2N5O3/c1-3-35(4-2)11-13-39-21-8-9-26(33-17-21)34-27-15-25-19(16-32-27)14-22(28-23(30)6-5-7-24(28)31)29(37)36(25)20-10-12-38-18-20/h5-9,14-17,20H,3-4,10-13,18H2,1-2H3,(H,32,33,34)
InChIKeyMWZIVEIZYZMRTO-UHFFFAOYSA-N
MW568.51 g/mol
LogP6.19
Rot. Bonds10

About 3-(2,6-dichlorophenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-(oxolan-3-yl)-1,6-naphthyridin-2-one

3-(2,6-dichlorophenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-(oxolan-3-yl)-1,6-naphthyridin-2-one (PubChem CID 118271406) has the molecular formula C29H31Cl2N5O3 and a molecular weight of 568.51 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-(oxolan-3-yl)-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-(oxolan-3-yl)-1,6-naphthyridin-2-one
PubChem CID118271406
Molecular FormulaC29H31Cl2N5O3
Molecular Weight568.51 g/mol
Exact Mass567.18
IUPAC Name3-(2,6-dichlorophenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-(oxolan-3-yl)-1,6-naphthyridin-2-one
SMILESCCN(CC)CCOc1ccc(Nc2cc3c(cn2)cc(-c2c(Cl)cccc2Cl)c(=O)n3C2CCOC2)nc1
InChIInChI=1S/C29H31Cl2N5O3/c1-3-35(4-2)11-13-39-21-8-9-26(33-17-21)34-27-15-25-19(16-32-27)14-22(28-23(30)6-5-7-24(28)31)29(37)36(25)20-10-12-38-18-20/h5-9,14-17,20H,3-4,10-13,18H2,1-2H3,(H,32,33,34)
InChIKeyMWZIVEIZYZMRTO-UHFFFAOYSA-N
XLogP6.19
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.51
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6-(2,6-Dichlorophenyl)-2-((4-(2-(diethylamino)ethoxy)phenyl)amino)-8-methylpyrido(2,3-d)pyrimidin-7(8H)-one
CID 5311382
6-(2,6-dichlorophenyl)-2-({3-[2-(diethylamino)ethoxy]phenyl}amino)-8-methyl-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327908
6-(2,6-dichlorophenyl)-2-({4-[2-(diethylamino)ethoxy]phenyl}amino)-8-ethyl-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327909
2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 41
CID 5327888
6-(2,6-dichlorophenyl)-2-[(2-methoxyphenyl)amino]-8-methyl-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327894
6-(2,6-dichlorophenyl)-2-[(3-methoxyphenyl)amino]-8-methyl-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327895
6-(2,6-Dichlorophenyl)-2-(4-methoxyphenylamino)-8-methyl-8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327896
2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 53
CID 5327899
2-[4-(2-Aminoethoxy)anilino]-6-(2,6-dichlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 5327904
2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 67
CID 5327913
3-(2,6-Dichlorophenyl)-7-({4-[2-(diethylamino)ethoxy]phenyl}amino)-1-methyl-1,2-dihydro-1,6-naphthyridin-2-one
CID 5328716
3-(2,6-Dichlorophenyl)-7-({4-[3-(diethylamino)propoxy]phenyl}amino)-1-methyl-1,2-dihydro-1,6-naphthyridin-2-one
CID 5328717

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-(oxolan-3-yl)-1,6-naphthyridin-2-one?
The IUPAC name of 3-(2,6-dichlorophenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-(oxolan-3-yl)-1,6-naphthyridin-2-one (CID 118271406) is 3-(2,6-dichlorophenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-(oxolan-3-yl)-1,6-naphthyridin-2-one.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-(oxolan-3-yl)-1,6-naphthyridin-2-one?
The canonical SMILES for 3-(2,6-dichlorophenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-(oxolan-3-yl)-1,6-naphthyridin-2-one is CCN(CC)CCOc1ccc(Nc2cc3c(cn2)cc(-c2c(Cl)cccc2Cl)c(=O)n3C2CCOC2)nc1.
What is the InChIKey of 3-(2,6-dichlorophenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-(oxolan-3-yl)-1,6-naphthyridin-2-one?
The InChIKey is MWZIVEIZYZMRTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31Cl2N5O3/c1-3-35(4-2)11-13-39-21-8-9-26(33-17-21)34-27-15-25-19(16-32-27)14-22(28-23(30)6-5-7-24(28)31)29(37)36(25)20-10-12-38-18-20/h5-9,14-17,20H,3-4,10-13,18H2,1-2H3,(H,32,33,34).
What are the key properties of 3-(2,6-dichlorophenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-(oxolan-3-yl)-1,6-naphthyridin-2-one?
3-(2,6-dichlorophenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-(oxolan-3-yl)-1,6-naphthyridin-2-one has a molecular weight of 568.51 g/mol, XLogP of 6.19, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-(oxolan-3-yl)-1,6-naphthyridin-2-one is sourced from PubChem (CID 118271406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).