[4-chloro-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-6-yl] benzoate

C22H22ClN3O3 — CID 86609392

IUPAC[4-chloro-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-6-yl] benzoate
SMILESCN1CCC(COc2cc3ncnc(Cl)c3cc2OC(=O)c2ccccc2)CC1
InChIInChI=1S/C22H22ClN3O3/c1-26-9-7-15(8-10-26)13-28-19-12-18-17(21(23)25-14-24-18)11-20(19)29-22(27)16-5-3-2-4-6-16/h2-6,11-12,14-15H,7-10,13H2,1H3
InChIKeyBWAJHHXMGSLRSP-UHFFFAOYSA-N
MW411.89 g/mol
LogP4.22
Rot. Bonds5

About [4-chloro-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-6-yl] benzoate

[4-chloro-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-6-yl] benzoate (PubChem CID 86609392) has the molecular formula C22H22ClN3O3 and a molecular weight of 411.89 g/mol. Its IUPAC name is [4-chloro-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-6-yl] benzoate.

Molecular Properties

Compound Name[4-chloro-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-6-yl] benzoate
PubChem CID86609392
Molecular FormulaC22H22ClN3O3
Molecular Weight411.89 g/mol
Exact Mass411.13
IUPAC Name[4-chloro-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-6-yl] benzoate
SMILESCN1CCC(COc2cc3ncnc(Cl)c3cc2OC(=O)c2ccccc2)CC1
InChIInChI=1S/C22H22ClN3O3/c1-26-9-7-15(8-10-26)13-28-19-12-18-17(21(23)25-14-24-18)11-20(19)29-22(27)16-5-3-2-4-6-16/h2-6,11-12,14-15H,7-10,13H2,1H3
InChIKeyBWAJHHXMGSLRSP-UHFFFAOYSA-N
XLogP4.22
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.89
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [4-chloro-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-6-yl] benzoate 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

1-(2-bromophenyl)-3-[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]sulfanylurea
CID 87714502
3-[4-[[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]amino]phenoxy]benzamide
CID 166515151
N-(2-chloro-5-methoxyphenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine
CID 5330175
N-[3-fluoro-4-[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]oxyphenyl]-1-methylcyclopropane-1-carboxamide
CID 134566631
6-methoxy-4-(3-methylphenoxy)-7-[(1-methylpiperidin-4-yl)methoxy]quinazoline
CID 143865456
4-chloro-6-methyl-7-[(1-methylpiperidin-4-yl)methoxy]quinazoline;4-fluoro-2-methyl-1H-indol-5-ol;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazoline
CID 162118251
N-bromo-N-(2,6-difluorophenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine
CID 21081997
1-N'-[3-fluoro-4-[7-methoxy-6-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]oxyphenyl]-1-N-(4-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 130443839
5-benzyl-2-[4-[7-methoxy-6-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]piperazin-1-yl]-1,3-diazinan-4-one
CID 146047904
4-chloro-6-methoxy-7-phenylmethoxyquinazoline
CID 10661998
N-[5-(3,4-dichlorophenyl)-1H-pyrazol-3-yl]-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine
CID 54337725
3-[4-chloro-6-(2-methoxyethoxy)quinazolin-7-yl]oxypropanoic acid
CID 163197326

Frequently Asked Questions

What is the IUPAC name of [4-chloro-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-6-yl] benzoate?
The IUPAC name of [4-chloro-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-6-yl] benzoate (CID 86609392) is [4-chloro-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-6-yl] benzoate.
What is the SMILES notation for [4-chloro-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-6-yl] benzoate?
The canonical SMILES for [4-chloro-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-6-yl] benzoate is CN1CCC(COc2cc3ncnc(Cl)c3cc2OC(=O)c2ccccc2)CC1.
What is the InChIKey of [4-chloro-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-6-yl] benzoate?
The InChIKey is BWAJHHXMGSLRSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O3/c1-26-9-7-15(8-10-26)13-28-19-12-18-17(21(23)25-14-24-18)11-20(19)29-22(27)16-5-3-2-4-6-16/h2-6,11-12,14-15H,7-10,13H2,1H3.
What are the key properties of [4-chloro-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-6-yl] benzoate?
[4-chloro-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-6-yl] benzoate has a molecular weight of 411.89 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-6-yl] benzoate is sourced from PubChem (CID 86609392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).