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

C21H22FN3O4S — CID 166191874

IUPAC1-[4-(dimethylamino)phenyl]-N-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]cyclopropane-1-carboxamide
SMILESCN(C)c1ccc(C2(C(=O)NS(=O)(=O)c3cc4c(cc3F)NC(=O)CC4)CC2)cc1
InChIInChI=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)
InChIKeyUJEPTSNFFCFRJS-UHFFFAOYSA-N
MW431.49 g/mol
LogP2.31
Rot. Bonds5

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 Name1-[4-(dimethylamino)phenyl]-N-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]cyclopropane-1-carboxamide
PubChem CID166191874
Molecular FormulaC21H22FN3O4S
Molecular Weight431.49 g/mol
Exact Mass431.13
IUPAC Name1-[4-(dimethylamino)phenyl]-N-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]cyclopropane-1-carboxamide
SMILESCN(C)c1ccc(C2(C(=O)NS(=O)(=O)c3cc4c(cc3F)NC(=O)CC4)CC2)cc1
InChIInChI=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)
InChIKeyUJEPTSNFFCFRJS-UHFFFAOYSA-N
XLogP2.31
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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).