N-cyclopropyl-N-[[7-fluoro-2-(4-methoxyphenyl)quinolin-3-yl]methyl]-5-methylthiophene-2-carboxamide

C26H23FN2O2S — CID 42323051

IUPACN-cyclopropyl-N-[[7-fluoro-2-(4-methoxyphenyl)quinolin-3-yl]methyl]-5-methylthiophene-2-carboxamide
SMILESCOc1ccc(-c2nc3cc(F)ccc3cc2CN(C(=O)c2ccc(C)s2)C2CC2)cc1
InChIInChI=1S/C26H23FN2O2S/c1-16-3-12-24(32-16)26(30)29(21-8-9-21)15-19-13-18-4-7-20(27)14-23(18)28-25(19)17-5-10-22(31-2)11-6-17/h3-7,10-14,21H,8-9,15H2,1-2H3
InChIKeyMJSICYQIIAMZDJ-UHFFFAOYSA-N
MW446.55 g/mol
LogP6.22
Rot. Bonds6

About N-cyclopropyl-N-[[7-fluoro-2-(4-methoxyphenyl)quinolin-3-yl]methyl]-5-methylthiophene-2-carboxamide

N-cyclopropyl-N-[[7-fluoro-2-(4-methoxyphenyl)quinolin-3-yl]methyl]-5-methylthiophene-2-carboxamide (PubChem CID 42323051) 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]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[[7-fluoro-2-(4-methoxyphenyl)quinolin-3-yl]methyl]-5-methylthiophene-2-carboxamide
PubChem CID42323051
Molecular FormulaC26H23FN2O2S
Molecular Weight446.55 g/mol
Exact Mass446.15
IUPAC NameN-cyclopropyl-N-[[7-fluoro-2-(4-methoxyphenyl)quinolin-3-yl]methyl]-5-methylthiophene-2-carboxamide
SMILESCOc1ccc(-c2nc3cc(F)ccc3cc2CN(C(=O)c2ccc(C)s2)C2CC2)cc1
InChIInChI=1S/C26H23FN2O2S/c1-16-3-12-24(32-16)26(30)29(21-8-9-21)15-19-13-18-4-7-20(27)14-23(18)28-25(19)17-5-10-22(31-2)11-6-17/h3-7,10-14,21H,8-9,15H2,1-2H3
InChIKeyMJSICYQIIAMZDJ-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]-5-methylthiophene-2-carboxamide?
The IUPAC name of N-cyclopropyl-N-[[7-fluoro-2-(4-methoxyphenyl)quinolin-3-yl]methyl]-5-methylthiophene-2-carboxamide (CID 42323051) is N-cyclopropyl-N-[[7-fluoro-2-(4-methoxyphenyl)quinolin-3-yl]methyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-[[7-fluoro-2-(4-methoxyphenyl)quinolin-3-yl]methyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-cyclopropyl-N-[[7-fluoro-2-(4-methoxyphenyl)quinolin-3-yl]methyl]-5-methylthiophene-2-carboxamide is COc1ccc(-c2nc3cc(F)ccc3cc2CN(C(=O)c2ccc(C)s2)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-N-[[7-fluoro-2-(4-methoxyphenyl)quinolin-3-yl]methyl]-5-methylthiophene-2-carboxamide?
The InChIKey is MJSICYQIIAMZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN2O2S/c1-16-3-12-24(32-16)26(30)29(21-8-9-21)15-19-13-18-4-7-20(27)14-23(18)28-25(19)17-5-10-22(31-2)11-6-17/h3-7,10-14,21H,8-9,15H2,1-2H3.
What are the key properties of N-cyclopropyl-N-[[7-fluoro-2-(4-methoxyphenyl)quinolin-3-yl]methyl]-5-methylthiophene-2-carboxamide?
N-cyclopropyl-N-[[7-fluoro-2-(4-methoxyphenyl)quinolin-3-yl]methyl]-5-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]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 42323051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).