N-[2-(cyclopropylmethyl)pyrimidin-5-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide

C17H18N4O3S — CID 154858337

IUPACN-[2-(cyclopropylmethyl)pyrimidin-5-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
SMILESO=C1CCc2cc(S(=O)(=O)Nc3cnc(CC4CC4)nc3)ccc2N1
InChIInChI=1S/C17H18N4O3S/c22-17-6-3-12-8-14(4-5-15(12)20-17)25(23,24)21-13-9-18-16(19-10-13)7-11-1-2-11/h4-5,8-11,21H,1-3,6-7H2,(H,20,22)
InChIKeyREQNHTGDXLMCCC-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.11
Rot. Bonds5

About N-[2-(cyclopropylmethyl)pyrimidin-5-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide

N-[2-(cyclopropylmethyl)pyrimidin-5-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide (PubChem CID 154858337) has the molecular formula C17H18N4O3S and a molecular weight of 358.42 g/mol. Its IUPAC name is N-[2-(cyclopropylmethyl)pyrimidin-5-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide.

Molecular Properties

Compound NameN-[2-(cyclopropylmethyl)pyrimidin-5-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
PubChem CID154858337
Molecular FormulaC17H18N4O3S
Molecular Weight358.42 g/mol
Exact Mass358.11
IUPAC NameN-[2-(cyclopropylmethyl)pyrimidin-5-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
SMILESO=C1CCc2cc(S(=O)(=O)Nc3cnc(CC4CC4)nc3)ccc2N1
InChIInChI=1S/C17H18N4O3S/c22-17-6-3-12-8-14(4-5-15(12)20-17)25(23,24)21-13-9-18-16(19-10-13)7-11-1-2-11/h4-5,8-11,21H,1-3,6-7H2,(H,20,22)
InChIKeyREQNHTGDXLMCCC-UHFFFAOYSA-N
XLogP2.11
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyclobutylpyrimidin-5-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 154876444
N-(2-cyclopropylpyrimidin-5-yl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
CID 166190507
N-[1-(cyclopropylmethyl)pyrazol-4-yl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
CID 126778091
N-(4-chlorophenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 3647907
4-bromo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzenesulfonamide
CID 20933627
4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]benzamide
CID 7586418
N-(3-ethynylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 18147069
2-oxo-N-(3-propan-2-ylphenyl)-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 8519442
N-(2-fluorophenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 7601955
N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 127279830
N-cyclooctyl-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
CID 20927826
N-(3,5-dimethoxyphenyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
CID 20927827

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylmethyl)pyrimidin-5-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The IUPAC name of N-[2-(cyclopropylmethyl)pyrimidin-5-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide (CID 154858337) is N-[2-(cyclopropylmethyl)pyrimidin-5-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide.
What is the SMILES notation for N-[2-(cyclopropylmethyl)pyrimidin-5-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The canonical SMILES for N-[2-(cyclopropylmethyl)pyrimidin-5-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide is O=C1CCc2cc(S(=O)(=O)Nc3cnc(CC4CC4)nc3)ccc2N1.
What is the InChIKey of N-[2-(cyclopropylmethyl)pyrimidin-5-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The InChIKey is REQNHTGDXLMCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3S/c22-17-6-3-12-8-14(4-5-15(12)20-17)25(23,24)21-13-9-18-16(19-10-13)7-11-1-2-11/h4-5,8-11,21H,1-3,6-7H2,(H,20,22).
What are the key properties of N-[2-(cyclopropylmethyl)pyrimidin-5-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
N-[2-(cyclopropylmethyl)pyrimidin-5-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide has a molecular weight of 358.42 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylmethyl)pyrimidin-5-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide is sourced from PubChem (CID 154858337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).