N-cyclopropyl-N-[[7-fluoro-2-(4-methoxyphenyl)quinolin-3-yl]methyl]-3-methylthiophene-2-carboxamide

C26H23FN2O2S — CID 42484022

IUPACN-cyclopropyl-N-[[7-fluoro-2-(4-methoxyphenyl)quinolin-3-yl]methyl]-3-methylthiophene-2-carboxamide
SMILESCOc1ccc(-c2nc3cc(F)ccc3cc2CN(C(=O)c2sccc2C)C2CC2)cc1
InChIInChI=1S/C26H23FN2O2S/c1-16-11-12-32-25(16)26(30)29(21-7-8-21)15-19-13-18-3-6-20(27)14-23(18)28-24(19)17-4-9-22(31-2)10-5-17/h3-6,9-14,21H,7-8,15H2,1-2H3
InChIKeyUGKCTSBKGWGRNB-UHFFFAOYSA-N
MW446.55 g/mol
LogP6.22
Rot. Bonds6

About N-cyclopropyl-N-[[7-fluoro-2-(4-methoxyphenyl)quinolin-3-yl]methyl]-3-methylthiophene-2-carboxamide

N-cyclopropyl-N-[[7-fluoro-2-(4-methoxyphenyl)quinolin-3-yl]methyl]-3-methylthiophene-2-carboxamide (PubChem CID 42484022) has the molecular formula C26H23FN2O2S and a molecular weight of 446.55 g/mol. Its IUPAC name is N-cyclopropyl-N-[[7-fluoro-2-(4-methoxyphenyl)quinolin-3-yl]methyl]-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[[7-fluoro-2-(4-methoxyphenyl)quinolin-3-yl]methyl]-3-methylthiophene-2-carboxamide
PubChem CID42484022
Molecular FormulaC26H23FN2O2S
Molecular Weight446.55 g/mol
Exact Mass446.15
IUPAC NameN-cyclopropyl-N-[[7-fluoro-2-(4-methoxyphenyl)quinolin-3-yl]methyl]-3-methylthiophene-2-carboxamide
SMILESCOc1ccc(-c2nc3cc(F)ccc3cc2CN(C(=O)c2sccc2C)C2CC2)cc1
InChIInChI=1S/C26H23FN2O2S/c1-16-11-12-32-25(16)26(30)29(21-7-8-21)15-19-13-18-3-6-20(27)14-23(18)28-24(19)17-4-9-22(31-2)10-5-17/h3-6,9-14,21H,7-8,15H2,1-2H3
InChIKeyUGKCTSBKGWGRNB-UHFFFAOYSA-N
XLogP6.22
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.55
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[[7-fluoro-2-(4-methoxyphenyl)quinolin-3-yl]methyl]-3-methylthiophene-2-carboxamide?
The IUPAC name of N-cyclopropyl-N-[[7-fluoro-2-(4-methoxyphenyl)quinolin-3-yl]methyl]-3-methylthiophene-2-carboxamide (CID 42484022) is N-cyclopropyl-N-[[7-fluoro-2-(4-methoxyphenyl)quinolin-3-yl]methyl]-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-[[7-fluoro-2-(4-methoxyphenyl)quinolin-3-yl]methyl]-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-cyclopropyl-N-[[7-fluoro-2-(4-methoxyphenyl)quinolin-3-yl]methyl]-3-methylthiophene-2-carboxamide is COc1ccc(-c2nc3cc(F)ccc3cc2CN(C(=O)c2sccc2C)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-N-[[7-fluoro-2-(4-methoxyphenyl)quinolin-3-yl]methyl]-3-methylthiophene-2-carboxamide?
The InChIKey is UGKCTSBKGWGRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN2O2S/c1-16-11-12-32-25(16)26(30)29(21-7-8-21)15-19-13-18-3-6-20(27)14-23(18)28-24(19)17-4-9-22(31-2)10-5-17/h3-6,9-14,21H,7-8,15H2,1-2H3.
What are the key properties of N-cyclopropyl-N-[[7-fluoro-2-(4-methoxyphenyl)quinolin-3-yl]methyl]-3-methylthiophene-2-carboxamide?
N-cyclopropyl-N-[[7-fluoro-2-(4-methoxyphenyl)quinolin-3-yl]methyl]-3-methylthiophene-2-carboxamide has a molecular weight of 446.55 g/mol, XLogP of 6.22, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[[7-fluoro-2-(4-methoxyphenyl)quinolin-3-yl]methyl]-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 42484022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).