7-[4-[2-(diethylamino)ethoxy]anilino]-1-ethyl-3-thiophen-2-yl-1,6-naphthyridin-2-one

C26H30N4O2S — CID 22124700

IUPAC7-[4-[2-(diethylamino)ethoxy]anilino]-1-ethyl-3-thiophen-2-yl-1,6-naphthyridin-2-one
SMILESCCN(CC)CCOc1ccc(Nc2cc3c(cn2)cc(-c2cccs2)c(=O)n3CC)cc1
InChIInChI=1S/C26H30N4O2S/c1-4-29(5-2)13-14-32-21-11-9-20(10-12-21)28-25-17-23-19(18-27-25)16-22(24-8-7-15-33-24)26(31)30(23)6-3/h7-12,15-18H,4-6,13-14H2,1-3H3,(H,27,28)
InChIKeyPLHACEHHOVWIEL-UHFFFAOYSA-N
MW462.62 g/mol
LogP5.61
Rot. Bonds10

About 7-[4-[2-(diethylamino)ethoxy]anilino]-1-ethyl-3-thiophen-2-yl-1,6-naphthyridin-2-one

7-[4-[2-(diethylamino)ethoxy]anilino]-1-ethyl-3-thiophen-2-yl-1,6-naphthyridin-2-one (PubChem CID 22124700) has the molecular formula C26H30N4O2S and a molecular weight of 462.62 g/mol. Its IUPAC name is 7-[4-[2-(diethylamino)ethoxy]anilino]-1-ethyl-3-thiophen-2-yl-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name7-[4-[2-(diethylamino)ethoxy]anilino]-1-ethyl-3-thiophen-2-yl-1,6-naphthyridin-2-one
PubChem CID22124700
Molecular FormulaC26H30N4O2S
Molecular Weight462.62 g/mol
Exact Mass462.21
IUPAC Name7-[4-[2-(diethylamino)ethoxy]anilino]-1-ethyl-3-thiophen-2-yl-1,6-naphthyridin-2-one
SMILESCCN(CC)CCOc1ccc(Nc2cc3c(cn2)cc(-c2cccs2)c(=O)n3CC)cc1
InChIInChI=1S/C26H30N4O2S/c1-4-29(5-2)13-14-32-21-11-9-20(10-12-21)28-25-17-23-19(18-27-25)16-22(24-8-7-15-33-24)26(31)30(23)6-3/h7-12,15-18H,4-6,13-14H2,1-3H3,(H,27,28)
InChIKeyPLHACEHHOVWIEL-UHFFFAOYSA-N
XLogP5.61
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.62
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Pyrido[2,3-d]pyrimidin-7-one deriv. 28
CID 5328641
Pyrido[2,3-d]pyrimidin-7-one deriv. 29
CID 5328642
2-(4-(2-diethylaminoethoxy)phenylamino)-8-ethyl-6-phenyl-8H-pyrido(2,3-d)pyrimidin-7-one
CID 5328650
6-(2-Amino-4-pyridinyl)-3-[(3-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-one
CID 156021995
US10590140, Example 325
CID 132089245
Cav|A2|A1&NET-IN-1
CID 142566915
2-(Ethylamino)-8-[(3-methoxyphenyl)methyl]-6-thiophen-2-ylpteridin-7-one
CID 3232773
8-[(3-Methoxyphenyl)methyl]-2-morpholin-4-yl-6-thiophen-2-ylpteridin-7-one
CID 3233126
2-Anilino-6-(4-methoxyphenyl)-8-(thiophen-2-ylmethyl)pteridin-7-one
CID 3233141
2-(Ethylamino)-8-(4-methoxyphenyl)-6-thiophen-2-ylpteridin-7-one
CID 3233741
8-(4-Methoxyphenyl)-2-morpholin-4-yl-6-thiophen-2-ylpteridin-7-one
CID 3233814
2-Methoxy-8-(4-methoxyphenyl)-6-thiophen-2-ylpteridin-7-one
CID 3234596

Frequently Asked Questions

What is the IUPAC name of 7-[4-[2-(diethylamino)ethoxy]anilino]-1-ethyl-3-thiophen-2-yl-1,6-naphthyridin-2-one?
The IUPAC name of 7-[4-[2-(diethylamino)ethoxy]anilino]-1-ethyl-3-thiophen-2-yl-1,6-naphthyridin-2-one (CID 22124700) is 7-[4-[2-(diethylamino)ethoxy]anilino]-1-ethyl-3-thiophen-2-yl-1,6-naphthyridin-2-one.
What is the SMILES notation for 7-[4-[2-(diethylamino)ethoxy]anilino]-1-ethyl-3-thiophen-2-yl-1,6-naphthyridin-2-one?
The canonical SMILES for 7-[4-[2-(diethylamino)ethoxy]anilino]-1-ethyl-3-thiophen-2-yl-1,6-naphthyridin-2-one is CCN(CC)CCOc1ccc(Nc2cc3c(cn2)cc(-c2cccs2)c(=O)n3CC)cc1.
What is the InChIKey of 7-[4-[2-(diethylamino)ethoxy]anilino]-1-ethyl-3-thiophen-2-yl-1,6-naphthyridin-2-one?
The InChIKey is PLHACEHHOVWIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O2S/c1-4-29(5-2)13-14-32-21-11-9-20(10-12-21)28-25-17-23-19(18-27-25)16-22(24-8-7-15-33-24)26(31)30(23)6-3/h7-12,15-18H,4-6,13-14H2,1-3H3,(H,27,28).
What are the key properties of 7-[4-[2-(diethylamino)ethoxy]anilino]-1-ethyl-3-thiophen-2-yl-1,6-naphthyridin-2-one?
7-[4-[2-(diethylamino)ethoxy]anilino]-1-ethyl-3-thiophen-2-yl-1,6-naphthyridin-2-one has a molecular weight of 462.62 g/mol, XLogP of 5.61, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[2-(diethylamino)ethoxy]anilino]-1-ethyl-3-thiophen-2-yl-1,6-naphthyridin-2-one is sourced from PubChem (CID 22124700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).