4-[(cyclopropylsulfonimidoyl)methyl]-1-(8-methoxyquinazolin-4-yl)piperidin-4-ol

C18H24N4O3S — CID 157040738

IUPAC4-[(cyclopropylsulfonimidoyl)methyl]-1-(8-methoxyquinazolin-4-yl)piperidin-4-ol
SMILES[H]N=[S@@](=O)(CC1(O)CCN(c2ncnc3c(OC)cccc23)CC1)C1CC1
InChIInChI=1S/C18H24N4O3S/c1-25-15-4-2-3-14-16(15)20-12-21-17(14)22-9-7-18(23,8-10-22)11-26(19,24)13-5-6-13/h2-4,12-13,19,23H,5-11H2,1H3/t26-/m1/s1
InChIKeyIQROAUUFSXYDNA-AREMUKBSSA-N
MW376.48 g/mol
LogP2.18
Rot. Bonds5

About 4-[(cyclopropylsulfonimidoyl)methyl]-1-(8-methoxyquinazolin-4-yl)piperidin-4-ol

4-[(cyclopropylsulfonimidoyl)methyl]-1-(8-methoxyquinazolin-4-yl)piperidin-4-ol (PubChem CID 157040738) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is 4-[(cyclopropylsulfonimidoyl)methyl]-1-(8-methoxyquinazolin-4-yl)piperidin-4-ol.

Molecular Properties

Compound Name4-[(cyclopropylsulfonimidoyl)methyl]-1-(8-methoxyquinazolin-4-yl)piperidin-4-ol
PubChem CID157040738
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC Name4-[(cyclopropylsulfonimidoyl)methyl]-1-(8-methoxyquinazolin-4-yl)piperidin-4-ol
SMILES[H]N=[S@@](=O)(CC1(O)CCN(c2ncnc3c(OC)cccc23)CC1)C1CC1
InChIInChI=1S/C18H24N4O3S/c1-25-15-4-2-3-14-16(15)20-12-21-17(14)22-9-7-18(23,8-10-22)11-26(19,24)13-5-6-13/h2-4,12-13,19,23H,5-11H2,1H3/t26-/m1/s1
InChIKeyIQROAUUFSXYDNA-AREMUKBSSA-N
XLogP2.18
TPSA99.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[(cyclopropylsulfonimidoyl)methyl]-1-(8-methoxyquinazolin-4-yl)piperidin-4-ol 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

8-methoxy-4-(2-methylsulfinyl-2,7-diazaspiro[3.5]nonan-7-yl)quinazoline
CID 157041068
4-(8-methoxyquinazolin-4-yl)thiomorpholine
CID 171802301
[1-[8-(fluoromethoxy)quinazolin-4-yl]piperidin-4-yl]methyl-imino-methyl-oxo-λ6-sulfane
CID 166561973
bis[[1-(8-methoxyquinazolin-4-yl)piperidin-3-yl]methoxy]-oxophosphanium
CID 175457534
4-[4-[(cyclopropylsulfonimidoyl)methyl]piperidin-1-yl]-8-methoxyquinoline-3-carbonitrile
CID 166562128
1-diethoxyphosphoryl-N-[1-(8-methoxyquinazolin-4-yl)piperidin-4-yl]formamide
CID 166527049
bis[1-cyano-2-[1-(8-methoxyquinazolin-4-yl)piperidin-4-yl]ethoxy]-oxophosphanium
CID 175387354
[(3S)-1-(8-methoxyquinazolin-4-yl)piperidin-3-yl]methoxymethylphosphonic acid
CID 166527093
4-ethyl-1-(6,7,8-trimethoxyquinazolin-4-yl)piperidin-4-ol
CID 86202989
imino-[[1-(8-methoxyquinolin-4-yl)piperidin-4-yl]methyl]-methyl-oxo-λ6-sulfane
CID 166561846
tert-butyl N-[2-[1-(8-methoxyquinazolin-4-yl)azetidin-3-yl]ethyl]carbamate
CID 163275284
[1-(3-fluoro-8-methoxyquinolin-4-yl)piperidin-4-yl]methyl-imino-methyl-oxo-λ6-sulfane
CID 166561886

Frequently Asked Questions

What is the IUPAC name of 4-[(cyclopropylsulfonimidoyl)methyl]-1-(8-methoxyquinazolin-4-yl)piperidin-4-ol?
The IUPAC name of 4-[(cyclopropylsulfonimidoyl)methyl]-1-(8-methoxyquinazolin-4-yl)piperidin-4-ol (CID 157040738) is 4-[(cyclopropylsulfonimidoyl)methyl]-1-(8-methoxyquinazolin-4-yl)piperidin-4-ol.
What is the SMILES notation for 4-[(cyclopropylsulfonimidoyl)methyl]-1-(8-methoxyquinazolin-4-yl)piperidin-4-ol?
The canonical SMILES for 4-[(cyclopropylsulfonimidoyl)methyl]-1-(8-methoxyquinazolin-4-yl)piperidin-4-ol is [H]N=[S@@](=O)(CC1(O)CCN(c2ncnc3c(OC)cccc23)CC1)C1CC1.
What is the InChIKey of 4-[(cyclopropylsulfonimidoyl)methyl]-1-(8-methoxyquinazolin-4-yl)piperidin-4-ol?
The InChIKey is IQROAUUFSXYDNA-AREMUKBSSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-25-15-4-2-3-14-16(15)20-12-21-17(14)22-9-7-18(23,8-10-22)11-26(19,24)13-5-6-13/h2-4,12-13,19,23H,5-11H2,1H3/t26-/m1/s1.
What are the key properties of 4-[(cyclopropylsulfonimidoyl)methyl]-1-(8-methoxyquinazolin-4-yl)piperidin-4-ol?
4-[(cyclopropylsulfonimidoyl)methyl]-1-(8-methoxyquinazolin-4-yl)piperidin-4-ol has a molecular weight of 376.48 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(cyclopropylsulfonimidoyl)methyl]-1-(8-methoxyquinazolin-4-yl)piperidin-4-ol is sourced from PubChem (CID 157040738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).