(7R)-3-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-7-(4-methoxyphenyl)-1,6,7,8-tetrahydroquinoline-2,5-dione

C27H24N2O4S — CID 92719846

IUPAC(7R)-3-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-7-(4-methoxyphenyl)-1,6,7,8-tetrahydroquinoline-2,5-dione
SMILESCCOc1ccc(-c2csc(-c3cc4c([nH]c3=O)C[C@@H](c3ccc(OC)cc3)CC4=O)n2)cc1
InChIInChI=1S/C27H24N2O4S/c1-3-33-20-10-6-17(7-11-20)24-15-34-27(29-24)22-14-21-23(28-26(22)31)12-18(13-25(21)30)16-4-8-19(32-2)9-5-16/h4-11,14-15,18H,3,12-13H2,1-2H3,(H,28,31)/t18-/m1/s1
InChIKeyIHQWRCCEMHLGNW-GOSISDBHSA-N
MW472.57 g/mol
LogP5.49
Rot. Bonds6

About (7R)-3-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-7-(4-methoxyphenyl)-1,6,7,8-tetrahydroquinoline-2,5-dione

(7R)-3-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-7-(4-methoxyphenyl)-1,6,7,8-tetrahydroquinoline-2,5-dione (PubChem CID 92719846) has the molecular formula C27H24N2O4S and a molecular weight of 472.57 g/mol. Its IUPAC name is (7R)-3-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-7-(4-methoxyphenyl)-1,6,7,8-tetrahydroquinoline-2,5-dione.

Molecular Properties

Compound Name(7R)-3-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-7-(4-methoxyphenyl)-1,6,7,8-tetrahydroquinoline-2,5-dione
PubChem CID92719846
Molecular FormulaC27H24N2O4S
Molecular Weight472.57 g/mol
Exact Mass472.15
IUPAC Name(7R)-3-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-7-(4-methoxyphenyl)-1,6,7,8-tetrahydroquinoline-2,5-dione
SMILESCCOc1ccc(-c2csc(-c3cc4c([nH]c3=O)C[C@@H](c3ccc(OC)cc3)CC4=O)n2)cc1
InChIInChI=1S/C27H24N2O4S/c1-3-33-20-10-6-17(7-11-20)24-15-34-27(29-24)22-14-21-23(28-26(22)31)12-18(13-25(21)30)16-4-8-19(32-2)9-5-16/h4-11,14-15,18H,3,12-13H2,1-2H3,(H,28,31)/t18-/m1/s1
InChIKeyIHQWRCCEMHLGNW-GOSISDBHSA-N
XLogP5.49
TPSA81.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.57
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(7R)-3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-7-(4-methoxyphenyl)-1,6,7,8-tetrahydroquinoline-2,5-dione
CID 92700413
(7S)-N-benzyl-7-(4-methoxyphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 95073868
N-(4-ethylphenyl)-7-(4-methoxyphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 22426392
7-(4-methoxyphenyl)-N-(4-methylphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 53043613
4-(4-ethoxyphenyl)-2-methoxy-1,3-thiazole
CID 116967744
7-(4-ethoxyphenyl)-4-(4-methoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 17062174
(6R)-6-(4-methoxyphenyl)-1,5,6,7-tetrahydroindazol-4-one
CID 7306559
4-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-1H-pyrazol-5-amine
CID 60650136
7-(4-methoxyphenyl)-1-(2-methylphenyl)-3-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinoline-2,5-dione
CID 15988632
(7R)-N-(2,5-dimethoxyphenyl)-2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 95059004
6-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 60528709
(7R)-N-(3,5-dimethoxyphenyl)-2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 95059046

Frequently Asked Questions

What is the IUPAC name of (7R)-3-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-7-(4-methoxyphenyl)-1,6,7,8-tetrahydroquinoline-2,5-dione?
The IUPAC name of (7R)-3-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-7-(4-methoxyphenyl)-1,6,7,8-tetrahydroquinoline-2,5-dione (CID 92719846) is (7R)-3-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-7-(4-methoxyphenyl)-1,6,7,8-tetrahydroquinoline-2,5-dione.
What is the SMILES notation for (7R)-3-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-7-(4-methoxyphenyl)-1,6,7,8-tetrahydroquinoline-2,5-dione?
The canonical SMILES for (7R)-3-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-7-(4-methoxyphenyl)-1,6,7,8-tetrahydroquinoline-2,5-dione is CCOc1ccc(-c2csc(-c3cc4c([nH]c3=O)C[C@@H](c3ccc(OC)cc3)CC4=O)n2)cc1.
What is the InChIKey of (7R)-3-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-7-(4-methoxyphenyl)-1,6,7,8-tetrahydroquinoline-2,5-dione?
The InChIKey is IHQWRCCEMHLGNW-GOSISDBHSA-N. The full InChI is InChI=1S/C27H24N2O4S/c1-3-33-20-10-6-17(7-11-20)24-15-34-27(29-24)22-14-21-23(28-26(22)31)12-18(13-25(21)30)16-4-8-19(32-2)9-5-16/h4-11,14-15,18H,3,12-13H2,1-2H3,(H,28,31)/t18-/m1/s1.
What are the key properties of (7R)-3-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-7-(4-methoxyphenyl)-1,6,7,8-tetrahydroquinoline-2,5-dione?
(7R)-3-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-7-(4-methoxyphenyl)-1,6,7,8-tetrahydroquinoline-2,5-dione has a molecular weight of 472.57 g/mol, XLogP of 5.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-3-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-7-(4-methoxyphenyl)-1,6,7,8-tetrahydroquinoline-2,5-dione is sourced from PubChem (CID 92719846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).