1-cyclopropyl-1-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]propane-2-sulfonamide

C21H25N3O3S — CID 172758402

IUPAC1-cyclopropyl-1-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]propane-2-sulfonamide
SMILESCC(C(c1cncc(-c2ccc3c(c2)CCC(=O)N3C)c1)C1CC1)S(N)(=O)=O
InChIInChI=1S/C21H25N3O3S/c1-13(28(22,26)27)21(14-3-4-14)18-10-17(11-23-12-18)15-5-7-19-16(9-15)6-8-20(25)24(19)2/h5,7,9-14,21H,3-4,6,8H2,1-2H3,(H2,22,26,27)
InChIKeyLIOYFEMKBCLTFT-UHFFFAOYSA-N
MW399.52 g/mol
LogP2.83
Rot. Bonds5

About 1-cyclopropyl-1-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]propane-2-sulfonamide

1-cyclopropyl-1-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]propane-2-sulfonamide (PubChem CID 172758402) has the molecular formula C21H25N3O3S and a molecular weight of 399.52 g/mol. Its IUPAC name is 1-cyclopropyl-1-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]propane-2-sulfonamide.

Molecular Properties

Compound Name1-cyclopropyl-1-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]propane-2-sulfonamide
PubChem CID172758402
Molecular FormulaC21H25N3O3S
Molecular Weight399.52 g/mol
Exact Mass399.16
IUPAC Name1-cyclopropyl-1-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]propane-2-sulfonamide
SMILESCC(C(c1cncc(-c2ccc3c(c2)CCC(=O)N3C)c1)C1CC1)S(N)(=O)=O
InChIInChI=1S/C21H25N3O3S/c1-13(28(22,26)27)21(14-3-4-14)18-10-17(11-23-12-18)15-5-7-19-16(9-15)6-8-20(25)24(19)2/h5,7,9-14,21H,3-4,6,8H2,1-2H3,(H2,22,26,27)
InChIKeyLIOYFEMKBCLTFT-UHFFFAOYSA-N
XLogP2.83
TPSA93.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-cyclopropyl-1-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]propane-2-sulfonamide with MolForge

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Related Compounds

6-[5-(1-aminoethyl)-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one;methane;hydrochloride
CID 159930466
6-[5-(1-amino-2-methylpropyl)-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 89439862
1-methyl-6-[5-[1-(methylamino)ethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one
CID 146216610
N-[1-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]ethyl]ethanesulfinamide
CID 146605053
6-[5-[(3-chloro-2-pyridinyl)-sulfanylmethyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 118619949
6-(2-cyclopropyl-1-hydroxypropyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 83148581
2-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]acetamide
CID 123991591
1-methyl-6-(5-piperidin-4-yloxy-3-pyridinyl)-3,4-dihydroquinolin-2-one
CID 89440578
6-[5-[[ethylsulfanyl(propan-2-yl)amino]methyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 146605081
6-[5-[(2S)-2-(chloromethyl)pyrrolidin-1-yl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 86679152
3,5-dimethyl-N-[1-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]ethyl]-1,2-oxazole-4-carboxamide;methane
CID 159961795
1-methyl-6-[5-[(2-oxopyrrolidin-1-yl)methyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one
CID 71533333

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]propane-2-sulfonamide?
The IUPAC name of 1-cyclopropyl-1-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]propane-2-sulfonamide (CID 172758402) is 1-cyclopropyl-1-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]propane-2-sulfonamide.
What is the SMILES notation for 1-cyclopropyl-1-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]propane-2-sulfonamide?
The canonical SMILES for 1-cyclopropyl-1-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]propane-2-sulfonamide is CC(C(c1cncc(-c2ccc3c(c2)CCC(=O)N3C)c1)C1CC1)S(N)(=O)=O.
What is the InChIKey of 1-cyclopropyl-1-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]propane-2-sulfonamide?
The InChIKey is LIOYFEMKBCLTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3S/c1-13(28(22,26)27)21(14-3-4-14)18-10-17(11-23-12-18)15-5-7-19-16(9-15)6-8-20(25)24(19)2/h5,7,9-14,21H,3-4,6,8H2,1-2H3,(H2,22,26,27).
What are the key properties of 1-cyclopropyl-1-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]propane-2-sulfonamide?
1-cyclopropyl-1-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]propane-2-sulfonamide has a molecular weight of 399.52 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]propane-2-sulfonamide is sourced from PubChem (CID 172758402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).