2-[4-[(4,5-dimethyl-1H-pyrazol-3-yl)amino]-7-methoxyquinazolin-6-yl]sulfonylethanol

C16H19N5O4S — CID 71259308

IUPAC2-[4-[(4,5-dimethyl-1H-pyrazol-3-yl)amino]-7-methoxyquinazolin-6-yl]sulfonylethanol
SMILESCOc1cc2ncnc(Nc3n[nH]c(C)c3C)c2cc1S(=O)(=O)CCO
InChIInChI=1S/C16H19N5O4S/c1-9-10(2)20-21-15(9)19-16-11-6-14(26(23,24)5-4-22)13(25-3)7-12(11)17-8-18-16/h6-8,22H,4-5H2,1-3H3,(H2,17,18,19,20,21)
InChIKeyQFXIIWGIPTWHOU-UHFFFAOYSA-N
MW377.43 g/mol
LogP1.49
Rot. Bonds6

About 2-[4-[(4,5-dimethyl-1H-pyrazol-3-yl)amino]-7-methoxyquinazolin-6-yl]sulfonylethanol

2-[4-[(4,5-dimethyl-1H-pyrazol-3-yl)amino]-7-methoxyquinazolin-6-yl]sulfonylethanol (PubChem CID 71259308) has the molecular formula C16H19N5O4S and a molecular weight of 377.43 g/mol. Its IUPAC name is 2-[4-[(4,5-dimethyl-1H-pyrazol-3-yl)amino]-7-methoxyquinazolin-6-yl]sulfonylethanol.

Molecular Properties

Compound Name2-[4-[(4,5-dimethyl-1H-pyrazol-3-yl)amino]-7-methoxyquinazolin-6-yl]sulfonylethanol
PubChem CID71259308
Molecular FormulaC16H19N5O4S
Molecular Weight377.43 g/mol
Exact Mass377.12
IUPAC Name2-[4-[(4,5-dimethyl-1H-pyrazol-3-yl)amino]-7-methoxyquinazolin-6-yl]sulfonylethanol
SMILESCOc1cc2ncnc(Nc3n[nH]c(C)c3C)c2cc1S(=O)(=O)CCO
InChIInChI=1S/C16H19N5O4S/c1-9-10(2)20-21-15(9)19-16-11-6-14(26(23,24)5-4-22)13(25-3)7-12(11)17-8-18-16/h6-8,22H,4-5H2,1-3H3,(H2,17,18,19,20,21)
InChIKeyQFXIIWGIPTWHOU-UHFFFAOYSA-N
XLogP1.49
TPSA130.09 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.43
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-[4-[(4,5-dimethyl-1H-pyrazol-3-yl)amino]-7-methoxyquinazolin-6-yl]sulfonylethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-butoxy-6-tert-butylsulfonyl-N-(4,5-dimethyl-1H-pyrazol-3-yl)quinazolin-4-amine;ethane
CID 145274840
6-dimethylphosphoryl-4-N-(4,5-dimethyl-1H-pyrazol-3-yl)-7-N,7-N-dimethylquinazoline-4,7-diamine
CID 146437997
6-tert-butylsulfanyl-N-(4,5-dimethyl-1H-pyrazol-3-yl)-7-[2-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethoxy]quinazolin-4-amine
CID 145386526
2-[4-[2-[6-tert-butylsulfinyl-4-[(4,5-dimethyl-1H-pyrazol-3-yl)amino]quinazolin-7-yl]oxyethyl]piperazin-1-yl]pyrimidin-5-ol
CID 155185929
2-[4-(1,3-benzothiazol-5-ylamino)-7-methoxyquinazolin-6-yl]sulfanylethanol;2-[4-(1,3-benzothiazol-5-ylamino)-7-methoxyquinazolin-6-yl]sulfonylethanol;N-(6-iodo-7-methoxyquinazolin-4-yl)-2,3-dihydro-1,3-benzothiazol-5-amine
CID 159756416
N-(6,7-dimethoxyquinazolin-4-yl)-2,2-dimethylpropanamide
CID 155236083
2-N-(6,7-dimethoxyquinazolin-4-yl)-4-ethylsulfonyl-5-fluoro-1-N,1-N-dimethylbenzene-1,2-diamine;hydrochloride
CID 159721862
2-[3-[[4-[(4,5-dimethyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]sulfonylethanol
CID 53477229
4-(1,3-benzothiazol-5-ylamino)-N-(2-hydroxy-2-methylpropyl)-7-methoxyquinazoline-6-sulfonamide
CID 90282739
3-[(7-methoxy-6-methylquinazolin-4-yl)amino]-N-methyl-4-(2,2,2-trifluoroethoxy)benzenesulfonamide
CID 177005062
[3-[(6,7-dimethoxyquinazolin-4-yl)amino]cyclohepta-1,3,5-trien-1-yl]methanol
CID 142018097
ethyl N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]carbamate
CID 54587267

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4,5-dimethyl-1H-pyrazol-3-yl)amino]-7-methoxyquinazolin-6-yl]sulfonylethanol?
The IUPAC name of 2-[4-[(4,5-dimethyl-1H-pyrazol-3-yl)amino]-7-methoxyquinazolin-6-yl]sulfonylethanol (CID 71259308) is 2-[4-[(4,5-dimethyl-1H-pyrazol-3-yl)amino]-7-methoxyquinazolin-6-yl]sulfonylethanol.
What is the SMILES notation for 2-[4-[(4,5-dimethyl-1H-pyrazol-3-yl)amino]-7-methoxyquinazolin-6-yl]sulfonylethanol?
The canonical SMILES for 2-[4-[(4,5-dimethyl-1H-pyrazol-3-yl)amino]-7-methoxyquinazolin-6-yl]sulfonylethanol is COc1cc2ncnc(Nc3n[nH]c(C)c3C)c2cc1S(=O)(=O)CCO.
What is the InChIKey of 2-[4-[(4,5-dimethyl-1H-pyrazol-3-yl)amino]-7-methoxyquinazolin-6-yl]sulfonylethanol?
The InChIKey is QFXIIWGIPTWHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O4S/c1-9-10(2)20-21-15(9)19-16-11-6-14(26(23,24)5-4-22)13(25-3)7-12(11)17-8-18-16/h6-8,22H,4-5H2,1-3H3,(H2,17,18,19,20,21).
What are the key properties of 2-[4-[(4,5-dimethyl-1H-pyrazol-3-yl)amino]-7-methoxyquinazolin-6-yl]sulfonylethanol?
2-[4-[(4,5-dimethyl-1H-pyrazol-3-yl)amino]-7-methoxyquinazolin-6-yl]sulfonylethanol has a molecular weight of 377.43 g/mol, XLogP of 1.49, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4,5-dimethyl-1H-pyrazol-3-yl)amino]-7-methoxyquinazolin-6-yl]sulfonylethanol is sourced from PubChem (CID 71259308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).