1-(5-cyclobutyl-2-methoxy-4-methyl-3-pyridinyl)-N-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)cyclopropane-1-carboxamide

C24H29N3O4S — CID 155224613

IUPAC1-(5-cyclobutyl-2-methoxy-4-methyl-3-pyridinyl)-N-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)cyclopropane-1-carboxamide
SMILESCOc1ncc(C2CCC2)c(C)c1C1(C(=O)NS(=O)(=O)N2CCCc3ccccc32)CC1
InChIInChI=1S/C24H29N3O4S/c1-16-19(17-8-5-9-17)15-25-22(31-2)21(16)24(12-13-24)23(28)26-32(29,30)27-14-6-10-18-7-3-4-11-20(18)27/h3-4,7,11,15,17H,5-6,8-10,12-14H2,1-2H3,(H,26,28)
InChIKeyUDEJPWBAEGPDBG-UHFFFAOYSA-N
MW455.58 g/mol
LogP3.51
Rot. Bonds6

About 1-(5-cyclobutyl-2-methoxy-4-methyl-3-pyridinyl)-N-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)cyclopropane-1-carboxamide

1-(5-cyclobutyl-2-methoxy-4-methyl-3-pyridinyl)-N-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)cyclopropane-1-carboxamide (PubChem CID 155224613) has the molecular formula C24H29N3O4S and a molecular weight of 455.58 g/mol. Its IUPAC name is 1-(5-cyclobutyl-2-methoxy-4-methyl-3-pyridinyl)-N-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(5-cyclobutyl-2-methoxy-4-methyl-3-pyridinyl)-N-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)cyclopropane-1-carboxamide
PubChem CID155224613
Molecular FormulaC24H29N3O4S
Molecular Weight455.58 g/mol
Exact Mass455.19
IUPAC Name1-(5-cyclobutyl-2-methoxy-4-methyl-3-pyridinyl)-N-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)cyclopropane-1-carboxamide
SMILESCOc1ncc(C2CCC2)c(C)c1C1(C(=O)NS(=O)(=O)N2CCCc3ccccc32)CC1
InChIInChI=1S/C24H29N3O4S/c1-16-19(17-8-5-9-17)15-25-22(31-2)21(16)24(12-13-24)23(28)26-32(29,30)27-14-6-10-18-7-3-4-11-20(18)27/h3-4,7,11,15,17H,5-6,8-10,12-14H2,1-2H3,(H,26,28)
InChIKeyUDEJPWBAEGPDBG-UHFFFAOYSA-N
XLogP3.51
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.58
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(5-cyclobutyl-2-methoxy-4-methyl-3-pyridinyl)-N-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)cyclopropane-1-carboxamide with MolForge

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Related Compounds

1-[2-chloro-5-(trifluoromethoxy)phenyl]-N-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)cyclopropane-1-carboxamide
CID 155224617
(4S)-3-(cyclobutanecarbonyl)-N-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-1,3-thiazolidine-4-carboxamide
CID 95787413
1-[(6-methoxy-3-pyridinyl)sulfonyl]-3,4-dihydro-2H-quinoline
CID 99803410
1-methylsulfonyl-3,4-dihydro-2H-quinoline
CID 669103
N-(4-acetylphenyl)-3,4-dihydro-2H-quinoline-1-sulfonamide
CID 110865860
N-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-3-pyrazol-1-ylpropanamide
CID 71878691
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 109150620
1-(2-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinoline
CID 51169545
1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]-3,4-dihydro-2H-quinoline
CID 62998708
1-(methoxycarbonylsulfamoyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 114462048
N,N-dimethyl-5-(2,3,4,5-tetrahydro-1-benzazepin-1-ylsulfonyl)pyridin-2-amine
CID 100741484
phenyl 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxybenzoate
CID 4527658

Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclobutyl-2-methoxy-4-methyl-3-pyridinyl)-N-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(5-cyclobutyl-2-methoxy-4-methyl-3-pyridinyl)-N-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)cyclopropane-1-carboxamide (CID 155224613) is 1-(5-cyclobutyl-2-methoxy-4-methyl-3-pyridinyl)-N-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(5-cyclobutyl-2-methoxy-4-methyl-3-pyridinyl)-N-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(5-cyclobutyl-2-methoxy-4-methyl-3-pyridinyl)-N-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)cyclopropane-1-carboxamide is COc1ncc(C2CCC2)c(C)c1C1(C(=O)NS(=O)(=O)N2CCCc3ccccc32)CC1.
What is the InChIKey of 1-(5-cyclobutyl-2-methoxy-4-methyl-3-pyridinyl)-N-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)cyclopropane-1-carboxamide?
The InChIKey is UDEJPWBAEGPDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4S/c1-16-19(17-8-5-9-17)15-25-22(31-2)21(16)24(12-13-24)23(28)26-32(29,30)27-14-6-10-18-7-3-4-11-20(18)27/h3-4,7,11,15,17H,5-6,8-10,12-14H2,1-2H3,(H,26,28).
What are the key properties of 1-(5-cyclobutyl-2-methoxy-4-methyl-3-pyridinyl)-N-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)cyclopropane-1-carboxamide?
1-(5-cyclobutyl-2-methoxy-4-methyl-3-pyridinyl)-N-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)cyclopropane-1-carboxamide has a molecular weight of 455.58 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclobutyl-2-methoxy-4-methyl-3-pyridinyl)-N-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 155224613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).