7-(cyclopropanecarbonyl)-N-[4-(2-hydroxypropan-2-yl)quinolin-2-yl]-3-methyl-1-benzothiophene-2-carboxamide

C26H24N2O3S — CID 118658512

IUPAC7-(cyclopropanecarbonyl)-N-[4-(2-hydroxypropan-2-yl)quinolin-2-yl]-3-methyl-1-benzothiophene-2-carboxamide
SMILESCc1c(C(=O)Nc2cc(C(C)(C)O)c3ccccc3n2)sc2c(C(=O)C3CC3)cccc12
InChIInChI=1S/C26H24N2O3S/c1-14-16-8-6-9-18(22(29)15-11-12-15)24(16)32-23(14)25(30)28-21-13-19(26(2,3)31)17-7-4-5-10-20(17)27-21/h4-10,13,15,31H,11-12H2,1-3H3,(H,27,28,30)
InChIKeyIRXJAYNPIBQPKE-UHFFFAOYSA-N
MW444.56 g/mol
LogP5.83
Rot. Bonds5

About 7-(cyclopropanecarbonyl)-N-[4-(2-hydroxypropan-2-yl)quinolin-2-yl]-3-methyl-1-benzothiophene-2-carboxamide

7-(cyclopropanecarbonyl)-N-[4-(2-hydroxypropan-2-yl)quinolin-2-yl]-3-methyl-1-benzothiophene-2-carboxamide (PubChem CID 118658512) has the molecular formula C26H24N2O3S and a molecular weight of 444.56 g/mol. Its IUPAC name is 7-(cyclopropanecarbonyl)-N-[4-(2-hydroxypropan-2-yl)quinolin-2-yl]-3-methyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name7-(cyclopropanecarbonyl)-N-[4-(2-hydroxypropan-2-yl)quinolin-2-yl]-3-methyl-1-benzothiophene-2-carboxamide
PubChem CID118658512
Molecular FormulaC26H24N2O3S
Molecular Weight444.56 g/mol
Exact Mass444.15
IUPAC Name7-(cyclopropanecarbonyl)-N-[4-(2-hydroxypropan-2-yl)quinolin-2-yl]-3-methyl-1-benzothiophene-2-carboxamide
SMILESCc1c(C(=O)Nc2cc(C(C)(C)O)c3ccccc3n2)sc2c(C(=O)C3CC3)cccc12
InChIInChI=1S/C26H24N2O3S/c1-14-16-8-6-9-18(22(29)15-11-12-15)24(16)32-23(14)25(30)28-21-13-19(26(2,3)31)17-7-4-5-10-20(17)27-21/h4-10,13,15,31H,11-12H2,1-3H3,(H,27,28,30)
InChIKeyIRXJAYNPIBQPKE-UHFFFAOYSA-N
XLogP5.83
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.56
LogP ≤ 55.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-(cyclopropanecarbonyl)-N-[4-(2-hydroxypropan-2-yl)quinolin-2-yl]-3-methyl-1-benzothiophene-2-carboxamide with MolForge

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Related Compounds

US9464076, Example 2
CID 118658005
4,7-diacetyl-N-[4-(2-hydroxypropan-2-yl)quinolin-2-yl]-1-benzothiophene-2-carboxamide
CID 118658396
US9464076, Example 109
CID 86269212
US9464076, Example 67
CID 86269418
US9464076, Example 77
CID 86269421
7-acetyl-N-[4-[(4-hydroxypiperidin-1-yl)methyl]quinolin-2-yl]-4-(methoxymethyl)-3-methyl-1-benzothiophene-2-carboxamide
CID 118658003
(R)-7-Acetyl-N-(4-((3-hydroxypyrrolidin-1-yl)methyl)quinolin-2-yl)-4-(methoxymethyl)-3-methylbenzo[b]thiophene-2-carboxamide
CID 118658032
7-acetyl-N-[4-(dimethylamino)quinolin-2-yl]-4-(methoxymethyl)-3-methyl-1-benzothiophene-2-carboxamide
CID 118658040
Benzo[b]thiophene-2-carboxamide, 7-acetyl-N-[4-(1-hydroxyethyl)-2-quinolinyl]-4-(methoxymethyl)-3-methyl-
CID 118658067
7-(cyclobutanecarbonyl)-N-[4-(2-hydroxypropan-2-yl)quinolin-2-yl]-3-methyl-1-benzothiophene-2-carboxamide
CID 118658074
7-acetyl-N-[4-[(3-hydroxypyrrolidin-1-yl)methyl]quinolin-2-yl]-4-(methoxymethyl)-3-methyl-1-benzothiophene-2-carboxamide
CID 118658079
7-acetyl-N-[4-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]quinolin-2-yl]-4-(methoxymethyl)-3-methyl-1-benzothiophene-2-carboxamide
CID 118658086

Frequently Asked Questions

What is the IUPAC name of 7-(cyclopropanecarbonyl)-N-[4-(2-hydroxypropan-2-yl)quinolin-2-yl]-3-methyl-1-benzothiophene-2-carboxamide?
The IUPAC name of 7-(cyclopropanecarbonyl)-N-[4-(2-hydroxypropan-2-yl)quinolin-2-yl]-3-methyl-1-benzothiophene-2-carboxamide (CID 118658512) is 7-(cyclopropanecarbonyl)-N-[4-(2-hydroxypropan-2-yl)quinolin-2-yl]-3-methyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 7-(cyclopropanecarbonyl)-N-[4-(2-hydroxypropan-2-yl)quinolin-2-yl]-3-methyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 7-(cyclopropanecarbonyl)-N-[4-(2-hydroxypropan-2-yl)quinolin-2-yl]-3-methyl-1-benzothiophene-2-carboxamide is Cc1c(C(=O)Nc2cc(C(C)(C)O)c3ccccc3n2)sc2c(C(=O)C3CC3)cccc12.
What is the InChIKey of 7-(cyclopropanecarbonyl)-N-[4-(2-hydroxypropan-2-yl)quinolin-2-yl]-3-methyl-1-benzothiophene-2-carboxamide?
The InChIKey is IRXJAYNPIBQPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O3S/c1-14-16-8-6-9-18(22(29)15-11-12-15)24(16)32-23(14)25(30)28-21-13-19(26(2,3)31)17-7-4-5-10-20(17)27-21/h4-10,13,15,31H,11-12H2,1-3H3,(H,27,28,30).
What are the key properties of 7-(cyclopropanecarbonyl)-N-[4-(2-hydroxypropan-2-yl)quinolin-2-yl]-3-methyl-1-benzothiophene-2-carboxamide?
7-(cyclopropanecarbonyl)-N-[4-(2-hydroxypropan-2-yl)quinolin-2-yl]-3-methyl-1-benzothiophene-2-carboxamide has a molecular weight of 444.56 g/mol, XLogP of 5.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclopropanecarbonyl)-N-[4-(2-hydroxypropan-2-yl)quinolin-2-yl]-3-methyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 118658512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).