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

C25H21FN2O2S — CID 42165966

IUPACN-cyclopropyl-N-[[7-fluoro-2-(4-methoxyphenyl)quinolin-3-yl]methyl]thiophene-2-carboxamide
SMILESCOc1ccc(-c2nc3cc(F)ccc3cc2CN(C(=O)c2cccs2)C2CC2)cc1
InChIInChI=1S/C25H21FN2O2S/c1-30-21-10-5-16(6-11-21)24-18(13-17-4-7-19(26)14-22(17)27-24)15-28(20-8-9-20)25(29)23-3-2-12-31-23/h2-7,10-14,20H,8-9,15H2,1H3
InChIKeyAASVBXDXXLIUDS-UHFFFAOYSA-N
MW432.52 g/mol
LogP5.92
Rot. Bonds6

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

N-cyclopropyl-N-[[7-fluoro-2-(4-methoxyphenyl)quinolin-3-yl]methyl]thiophene-2-carboxamide (PubChem CID 42165966) has the molecular formula C25H21FN2O2S and a molecular weight of 432.52 g/mol. Its IUPAC name is N-cyclopropyl-N-[[7-fluoro-2-(4-methoxyphenyl)quinolin-3-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[[7-fluoro-2-(4-methoxyphenyl)quinolin-3-yl]methyl]thiophene-2-carboxamide
PubChem CID42165966
Molecular FormulaC25H21FN2O2S
Molecular Weight432.52 g/mol
Exact Mass432.13
IUPAC NameN-cyclopropyl-N-[[7-fluoro-2-(4-methoxyphenyl)quinolin-3-yl]methyl]thiophene-2-carboxamide
SMILESCOc1ccc(-c2nc3cc(F)ccc3cc2CN(C(=O)c2cccs2)C2CC2)cc1
InChIInChI=1S/C25H21FN2O2S/c1-30-21-10-5-16(6-11-21)24-18(13-17-4-7-19(26)14-22(17)27-24)15-28(20-8-9-20)25(29)23-3-2-12-31-23/h2-7,10-14,20H,8-9,15H2,1H3
InChIKeyAASVBXDXXLIUDS-UHFFFAOYSA-N
XLogP5.92
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.52
LogP ≤ 55.92
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]thiophene-2-carboxamide?
The IUPAC name of N-cyclopropyl-N-[[7-fluoro-2-(4-methoxyphenyl)quinolin-3-yl]methyl]thiophene-2-carboxamide (CID 42165966) is N-cyclopropyl-N-[[7-fluoro-2-(4-methoxyphenyl)quinolin-3-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-[[7-fluoro-2-(4-methoxyphenyl)quinolin-3-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for N-cyclopropyl-N-[[7-fluoro-2-(4-methoxyphenyl)quinolin-3-yl]methyl]thiophene-2-carboxamide is COc1ccc(-c2nc3cc(F)ccc3cc2CN(C(=O)c2cccs2)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-N-[[7-fluoro-2-(4-methoxyphenyl)quinolin-3-yl]methyl]thiophene-2-carboxamide?
The InChIKey is AASVBXDXXLIUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN2O2S/c1-30-21-10-5-16(6-11-21)24-18(13-17-4-7-19(26)14-22(17)27-24)15-28(20-8-9-20)25(29)23-3-2-12-31-23/h2-7,10-14,20H,8-9,15H2,1H3.
What are the key properties of N-cyclopropyl-N-[[7-fluoro-2-(4-methoxyphenyl)quinolin-3-yl]methyl]thiophene-2-carboxamide?
N-cyclopropyl-N-[[7-fluoro-2-(4-methoxyphenyl)quinolin-3-yl]methyl]thiophene-2-carboxamide has a molecular weight of 432.52 g/mol, XLogP of 5.92, 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]thiophene-2-carboxamide is sourced from PubChem (CID 42165966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).