N-cyclopropylsulfonyl-2-(4-fluoro-3-morpholin-4-ylphenyl)-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxamide

C25H30FN3O4S — CID 53491693

IUPACN-cyclopropylsulfonyl-2-(4-fluoro-3-morpholin-4-ylphenyl)-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxamide
SMILESCC1(C)Cc2cc(C(=O)NS(=O)(=O)C3CC3)ccc2NC1c1ccc(F)c(N2CCOCC2)c1
InChIInChI=1S/C25H30FN3O4S/c1-25(2)15-18-13-17(24(30)28-34(31,32)19-5-6-19)4-8-21(18)27-23(25)16-3-7-20(26)22(14-16)29-9-11-33-12-10-29/h3-4,7-8,13-14,19,23,27H,5-6,9-12,15H2,1-2H3,(H,28,30)
InChIKeyGLDVPQLTGWJSMW-UHFFFAOYSA-N
MW487.60 g/mol
LogP3.62
Rot. Bonds5

About N-cyclopropylsulfonyl-2-(4-fluoro-3-morpholin-4-ylphenyl)-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxamide

N-cyclopropylsulfonyl-2-(4-fluoro-3-morpholin-4-ylphenyl)-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxamide (PubChem CID 53491693) has the molecular formula C25H30FN3O4S and a molecular weight of 487.60 g/mol. Its IUPAC name is N-cyclopropylsulfonyl-2-(4-fluoro-3-morpholin-4-ylphenyl)-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxamide.

Molecular Properties

Compound NameN-cyclopropylsulfonyl-2-(4-fluoro-3-morpholin-4-ylphenyl)-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxamide
PubChem CID53491693
Molecular FormulaC25H30FN3O4S
Molecular Weight487.60 g/mol
Exact Mass487.19
IUPAC NameN-cyclopropylsulfonyl-2-(4-fluoro-3-morpholin-4-ylphenyl)-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxamide
SMILESCC1(C)Cc2cc(C(=O)NS(=O)(=O)C3CC3)ccc2NC1c1ccc(F)c(N2CCOCC2)c1
InChIInChI=1S/C25H30FN3O4S/c1-25(2)15-18-13-17(24(30)28-34(31,32)19-5-6-19)4-8-21(18)27-23(25)16-3-7-20(26)22(14-16)29-9-11-33-12-10-29/h3-4,7-8,13-14,19,23,27H,5-6,9-12,15H2,1-2H3,(H,28,30)
InChIKeyGLDVPQLTGWJSMW-UHFFFAOYSA-N
XLogP3.62
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.60
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-cyclopropylsulfonyl-2-(4-fluoro-3-morpholin-4-ylphenyl)-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

2-(3-methoxy-5-morpholin-4-ylphenyl)-3,3-dimethyl-N-methylsulfonyl-2,4-dihydro-1H-quinoline-6-carboxamide
CID 53491763
3,3-dimethyl-2-(4-morpholin-4-ylphenyl)-2,4-dihydro-1H-quinoline-6-carboxylic acid
CID 53491833
2-(2-fluoro-5-morpholin-4-ylphenyl)-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxylic acid
CID 53492706
3,3-dimethyl-2-(5-morpholin-4-yl-3-pyridinyl)-2,4-dihydro-1H-quinoline-6-carboxylic acid
CID 67443556
6-fluoro-3,3-dimethyl-2-(3-morpholin-4-ylphenyl)-2,4-dihydro-1H-quinoline-5-carboxylic acid
CID 53492179
2-[3-(2-cyclohexyl-2-oxoethyl)-4-fluorophenyl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxylic acid
CID 58476284
2-[3-(2-chloro-4-fluoroanilino)-4-fluorophenyl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxylic acid
CID 67458154
2-(3-fluoro-5-piperazin-1-ylphenyl)-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxylic acid
CID 53491832
3,3-dimethyl-2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-2,4-dihydro-1H-quinoline-6-carboxylic acid
CID 67441802
4,4-dimethyl-N-methylsulfonyl-2-(5-morpholin-4-yl-3-pyridinyl)-2,3-dihydro-1H-quinoline-6-carboxamide
CID 59053506
methyl 2-(3-bromo-5-fluorophenyl)-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxylate
CID 67441305
7-fluoro-3,3-dimethyl-2-(3-morpholin-4-ylphenyl)-2,4-dihydro-1H-quinoline-5-carboxylic acid
CID 53492180

Frequently Asked Questions

What is the IUPAC name of N-cyclopropylsulfonyl-2-(4-fluoro-3-morpholin-4-ylphenyl)-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxamide?
The IUPAC name of N-cyclopropylsulfonyl-2-(4-fluoro-3-morpholin-4-ylphenyl)-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxamide (CID 53491693) is N-cyclopropylsulfonyl-2-(4-fluoro-3-morpholin-4-ylphenyl)-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxamide.
What is the SMILES notation for N-cyclopropylsulfonyl-2-(4-fluoro-3-morpholin-4-ylphenyl)-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxamide?
The canonical SMILES for N-cyclopropylsulfonyl-2-(4-fluoro-3-morpholin-4-ylphenyl)-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxamide is CC1(C)Cc2cc(C(=O)NS(=O)(=O)C3CC3)ccc2NC1c1ccc(F)c(N2CCOCC2)c1.
What is the InChIKey of N-cyclopropylsulfonyl-2-(4-fluoro-3-morpholin-4-ylphenyl)-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxamide?
The InChIKey is GLDVPQLTGWJSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN3O4S/c1-25(2)15-18-13-17(24(30)28-34(31,32)19-5-6-19)4-8-21(18)27-23(25)16-3-7-20(26)22(14-16)29-9-11-33-12-10-29/h3-4,7-8,13-14,19,23,27H,5-6,9-12,15H2,1-2H3,(H,28,30).
What are the key properties of N-cyclopropylsulfonyl-2-(4-fluoro-3-morpholin-4-ylphenyl)-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxamide?
N-cyclopropylsulfonyl-2-(4-fluoro-3-morpholin-4-ylphenyl)-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxamide has a molecular weight of 487.60 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropylsulfonyl-2-(4-fluoro-3-morpholin-4-ylphenyl)-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxamide is sourced from PubChem (CID 53491693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).