2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-3-yl]-1,3-benzoxazole

C22H22N4O3 — CID 11689657

IUPAC2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-3-yl]-1,3-benzoxazole
SMILESCOc1cc2ncnc(N3CCCC(c4nc5ccccc5o4)C3)c2cc1OC
InChIInChI=1S/C22H22N4O3/c1-27-19-10-15-17(11-20(19)28-2)23-13-24-21(15)26-9-5-6-14(12-26)22-25-16-7-3-4-8-18(16)29-22/h3-4,7-8,10-11,13-14H,5-6,9,12H2,1-2H3
InChIKeyGWXITLQUVKLYPI-UHFFFAOYSA-N
MW390.44 g/mol
LogP4.17
Rot. Bonds4

About 2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-3-yl]-1,3-benzoxazole

2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-3-yl]-1,3-benzoxazole (PubChem CID 11689657) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is 2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-3-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-3-yl]-1,3-benzoxazole
PubChem CID11689657
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Name2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-3-yl]-1,3-benzoxazole
SMILESCOc1cc2ncnc(N3CCCC(c4nc5ccccc5o4)C3)c2cc1OC
InChIInChI=1S/C22H22N4O3/c1-27-19-10-15-17(11-20(19)28-2)23-13-24-21(15)26-9-5-6-14(12-26)22-25-16-7-3-4-8-18(16)29-22/h3-4,7-8,10-11,13-14H,5-6,9,12H2,1-2H3
InChIKeyGWXITLQUVKLYPI-UHFFFAOYSA-N
XLogP4.17
TPSA73.51 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-3-yl]-1,3-benzoxazole 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-methoxy-4-(3-phenylpiperidin-1-yl)-6-propoxyquinazoline
CID 11545321
2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2-methoxydibenzofuran-3-yl)acetamide
CID 46402836
4-(3,4-dihydro-1H-isoquinolin-2-yl)-6,7-dimethoxyquinazoline
CID 21002947
1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-ol
CID 21487876
(3R,4S)-1-(6,7-dimethoxyquinazolin-4-yl)-3-phenylpiperidin-4-ol
CID 69368621
2-[1-(2-methoxyethyl)piperidin-3-yl]-1,3-benzoxazole
CID 86984025
6,7-dimethoxy-4-(4-methylpiperazin-1-yl)quinazoline
CID 2808928
N-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 163357922
N-cyclopropyl-1-(6,7-dimethoxyquinazolin-4-yl)piperidine-3-carboxamide
CID 165435283
4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-ethoxy-7-methoxyquinazoline
CID 11537337
2-[1-(6-chloropyrazin-2-yl)piperidin-3-yl]-1,3-benzoxazole
CID 71978149
2-[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 37076696

Frequently Asked Questions

What is the IUPAC name of 2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-3-yl]-1,3-benzoxazole?
The IUPAC name of 2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-3-yl]-1,3-benzoxazole (CID 11689657) is 2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-3-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-3-yl]-1,3-benzoxazole?
The canonical SMILES for 2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-3-yl]-1,3-benzoxazole is COc1cc2ncnc(N3CCCC(c4nc5ccccc5o4)C3)c2cc1OC.
What is the InChIKey of 2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-3-yl]-1,3-benzoxazole?
The InChIKey is GWXITLQUVKLYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-27-19-10-15-17(11-20(19)28-2)23-13-24-21(15)26-9-5-6-14(12-26)22-25-16-7-3-4-8-18(16)29-22/h3-4,7-8,10-11,13-14H,5-6,9,12H2,1-2H3.
What are the key properties of 2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-3-yl]-1,3-benzoxazole?
2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-3-yl]-1,3-benzoxazole has a molecular weight of 390.44 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-3-yl]-1,3-benzoxazole is sourced from PubChem (CID 11689657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).