6-chloro-N-cyclopropylsulfonyl-4,4-dimethyl-2-(3-pyrrolidin-1-ylphenyl)-2,3-dihydro-1H-quinoline-8-carboxamide

C25H30ClN3O3S — CID 59053759

IUPAC6-chloro-N-cyclopropylsulfonyl-4,4-dimethyl-2-(3-pyrrolidin-1-ylphenyl)-2,3-dihydro-1H-quinoline-8-carboxamide
SMILESCC1(C)CC(c2cccc(N3CCCC3)c2)Nc2c(C(=O)NS(=O)(=O)C3CC3)cc(Cl)cc21
InChIInChI=1S/C25H30ClN3O3S/c1-25(2)15-22(16-6-5-7-18(12-16)29-10-3-4-11-29)27-23-20(13-17(26)14-21(23)25)24(30)28-33(31,32)19-8-9-19/h5-7,12-14,19,22,27H,3-4,8-11,15H2,1-2H3,(H,28,30)
InChIKeyBOMKPQFBVUYGDQ-UHFFFAOYSA-N
MW488.05 g/mol
LogP5.00
Rot. Bonds5

About 6-chloro-N-cyclopropylsulfonyl-4,4-dimethyl-2-(3-pyrrolidin-1-ylphenyl)-2,3-dihydro-1H-quinoline-8-carboxamide

6-chloro-N-cyclopropylsulfonyl-4,4-dimethyl-2-(3-pyrrolidin-1-ylphenyl)-2,3-dihydro-1H-quinoline-8-carboxamide (PubChem CID 59053759) has the molecular formula C25H30ClN3O3S and a molecular weight of 488.05 g/mol. Its IUPAC name is 6-chloro-N-cyclopropylsulfonyl-4,4-dimethyl-2-(3-pyrrolidin-1-ylphenyl)-2,3-dihydro-1H-quinoline-8-carboxamide.

Molecular Properties

Compound Name6-chloro-N-cyclopropylsulfonyl-4,4-dimethyl-2-(3-pyrrolidin-1-ylphenyl)-2,3-dihydro-1H-quinoline-8-carboxamide
PubChem CID59053759
Molecular FormulaC25H30ClN3O3S
Molecular Weight488.05 g/mol
Exact Mass487.17
IUPAC Name6-chloro-N-cyclopropylsulfonyl-4,4-dimethyl-2-(3-pyrrolidin-1-ylphenyl)-2,3-dihydro-1H-quinoline-8-carboxamide
SMILESCC1(C)CC(c2cccc(N3CCCC3)c2)Nc2c(C(=O)NS(=O)(=O)C3CC3)cc(Cl)cc21
InChIInChI=1S/C25H30ClN3O3S/c1-25(2)15-22(16-6-5-7-18(12-16)29-10-3-4-11-29)27-23-20(13-17(26)14-21(23)25)24(30)28-33(31,32)19-8-9-19/h5-7,12-14,19,22,27H,3-4,8-11,15H2,1-2H3,(H,28,30)
InChIKeyBOMKPQFBVUYGDQ-UHFFFAOYSA-N
XLogP5.00
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.05
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-chloro-N-cyclopropylsulfonyl-4,4-dimethyl-2-(3-pyrrolidin-1-ylphenyl)-2,3-dihydro-1H-quinoline-8-carboxamide with MolForge

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Related Compounds

6-chloro-4,4-dimethyl-2-(4-methyl-3-pyrrolidin-1-ylphenyl)-N-methylsulfonyl-2,3-dihydro-1H-quinoline-8-carboxamide
CID 70495263
4,4-dimethyl-N-methylsulfonyl-2-(3-morpholin-4-ylphenyl)-2,3-dihydro-1H-quinoline-7-carboxamide
CID 59053565
6-chloro-N-cyclopropylsulfonyl-2-[3-[4-(dimethylamino)phenyl]phenyl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-8-carboxamide
CID 58476199
N-[[6-fluoro-4,4-dimethyl-2-[3-[4-(2-methylphenyl)piperazin-1-yl]phenyl]-2,3-dihydro-1H-quinolin-8-yl]-hydroxymethyl]methanesulfonamide
CID 123200720
4,4-dimethyl-N-methylsulfonyl-2-(5-morpholin-4-yl-3-pyridinyl)-2,3-dihydro-1H-quinoline-6-carboxamide
CID 59053506
1-(3-chlorophenyl)azonane
CID 145391535
1-[3-(4,4-dimethylcyclohexyl)phenyl]pyrrolidine
CID 141117958
N-[3-(6-chloro-4,4-dimethyl-2,3-dihydro-1H-quinolin-2-yl)phenyl]-4-methylbenzenesulfonamide
CID 56966429
methyl 4-[[[1-(3-chlorophenyl)piperidin-4-yl]sulfonylamino]methyl]benzoate;hydrochloride
CID 126507606
N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-4,4-dimethyl-2-[3-(4-propan-2-ylpiperazin-1-yl)phenyl]-2,3-dihydro-1H-quinoline-6-carboxamide
CID 56592320
1-[4-(3-chlorophenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108941987
2-[2-chloro-5-(2-oxopyrrolidin-3-yl)phenyl]-N-cyclopropylsulfonyl-4,4-dimethyl-2,3-dihydro-1H-quinoline-6-carboxamide
CID 141338197

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-cyclopropylsulfonyl-4,4-dimethyl-2-(3-pyrrolidin-1-ylphenyl)-2,3-dihydro-1H-quinoline-8-carboxamide?
The IUPAC name of 6-chloro-N-cyclopropylsulfonyl-4,4-dimethyl-2-(3-pyrrolidin-1-ylphenyl)-2,3-dihydro-1H-quinoline-8-carboxamide (CID 59053759) is 6-chloro-N-cyclopropylsulfonyl-4,4-dimethyl-2-(3-pyrrolidin-1-ylphenyl)-2,3-dihydro-1H-quinoline-8-carboxamide.
What is the SMILES notation for 6-chloro-N-cyclopropylsulfonyl-4,4-dimethyl-2-(3-pyrrolidin-1-ylphenyl)-2,3-dihydro-1H-quinoline-8-carboxamide?
The canonical SMILES for 6-chloro-N-cyclopropylsulfonyl-4,4-dimethyl-2-(3-pyrrolidin-1-ylphenyl)-2,3-dihydro-1H-quinoline-8-carboxamide is CC1(C)CC(c2cccc(N3CCCC3)c2)Nc2c(C(=O)NS(=O)(=O)C3CC3)cc(Cl)cc21.
What is the InChIKey of 6-chloro-N-cyclopropylsulfonyl-4,4-dimethyl-2-(3-pyrrolidin-1-ylphenyl)-2,3-dihydro-1H-quinoline-8-carboxamide?
The InChIKey is BOMKPQFBVUYGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN3O3S/c1-25(2)15-22(16-6-5-7-18(12-16)29-10-3-4-11-29)27-23-20(13-17(26)14-21(23)25)24(30)28-33(31,32)19-8-9-19/h5-7,12-14,19,22,27H,3-4,8-11,15H2,1-2H3,(H,28,30).
What are the key properties of 6-chloro-N-cyclopropylsulfonyl-4,4-dimethyl-2-(3-pyrrolidin-1-ylphenyl)-2,3-dihydro-1H-quinoline-8-carboxamide?
6-chloro-N-cyclopropylsulfonyl-4,4-dimethyl-2-(3-pyrrolidin-1-ylphenyl)-2,3-dihydro-1H-quinoline-8-carboxamide has a molecular weight of 488.05 g/mol, XLogP of 5.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-cyclopropylsulfonyl-4,4-dimethyl-2-(3-pyrrolidin-1-ylphenyl)-2,3-dihydro-1H-quinoline-8-carboxamide is sourced from PubChem (CID 59053759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).