1-[4-(dimethylamino)phenyl]-N-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]cyclopropane-1-carboxamide

C21H22FN3O4S — CID 166191874

About 1-[4-(dimethylamino)phenyl]-N-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]cyclopropane-1-carboxamide

1-[4-(dimethylamino)phenyl]-N-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]cyclopropane-1-carboxamide (PubChem CID 166191874) has the molecular formula C21H22FN3O4S and a molecular weight of 431.49 g/mol. Its IUPAC name is 1-[4-(dimethylamino)phenyl]-N-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: 1-[4-(dimethylamino)phenyl]-N-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]cyclopropane-1-carboxamide
• PubChem CID: 166191874
• Molecular Formula: C21H22FN3O4S
• Molecular Weight: 431.49 g/mol
• Exact Mass: 431.13
• IUPAC Name: 1-[4-(dimethylamino)phenyl]-N-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]cyclopropane-1-carboxamide
• SMILES: CN(C)c1ccc(C2(C(=O)NS(=O)(=O)c3cc4c(cc3F)NC(=O)CC4)CC2)cc1
• InChI: InChI=1S/C21H22FN3O4S/c1-25(2)15-6-4-14(5-7-15)21(9-10-21)20(27)24-30(28,29)18-11-13-3-8-19(26)23-17(13)12-16(18)22/h4-7,11-12H,3,8-10H2,1-2H3,(H,23,26)(H,24,27)
• InChIKey: UJEPTSNFFCFRJS-UHFFFAOYSA-N
• XLogP: 2.31
• TPSA: 95.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.49
LogP ≤ 5	2.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)phenyl]-N-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]cyclopropane-1-carboxamide?

The IUPAC name of 1-[4-(dimethylamino)phenyl]-N-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]cyclopropane-1-carboxamide (CID 166191874) is 1-[4-(dimethylamino)phenyl]-N-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]cyclopropane-1-carboxamide.

What is the SMILES notation for 1-[4-(dimethylamino)phenyl]-N-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]cyclopropane-1-carboxamide?

The canonical SMILES for 1-[4-(dimethylamino)phenyl]-N-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]cyclopropane-1-carboxamide is CN(C)c1ccc(C2(C(=O)NS(=O)(=O)c3cc4c(cc3F)NC(=O)CC4)CC2)cc1.

What is the InChIKey of 1-[4-(dimethylamino)phenyl]-N-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]cyclopropane-1-carboxamide?

The InChIKey is UJEPTSNFFCFRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O4S/c1-25(2)15-6-4-14(5-7-15)21(9-10-21)20(27)24-30(28,29)18-11-13-3-8-19(26)23-17(13)12-16(18)22/h4-7,11-12H,3,8-10H2,1-2H3,(H,23,26)(H,24,27).

What are the key properties of 1-[4-(dimethylamino)phenyl]-N-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]cyclopropane-1-carboxamide?

1-[4-(dimethylamino)phenyl]-N-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]cyclopropane-1-carboxamide has a molecular weight of 431.49 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(dimethylamino)phenyl]-N-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 166191874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).