1-[4-(1-benzofuran-4-ylamino)-6-methoxyquinazolin-7-yl]oxy-3-piperidin-1-ylpropan-2-ol

C25H28N4O4 — CID 10160964

IUPAC1-[4-(1-benzofuran-4-ylamino)-6-methoxyquinazolin-7-yl]oxy-3-piperidin-1-ylpropan-2-ol
SMILESCOc1cc2c(Nc3cccc4occc34)ncnc2cc1OCC(O)CN1CCCCC1
InChIInChI=1S/C25H28N4O4/c1-31-23-12-19-21(13-24(23)33-15-17(30)14-29-9-3-2-4-10-29)26-16-27-25(19)28-20-6-5-7-22-18(20)8-11-32-22/h5-8,11-13,16-17,30H,2-4,9-10,14-15H2,1H3,(H,26,27,28)
InChIKeyOXGORLMHKIFENO-UHFFFAOYSA-N
MW448.52 g/mol
LogP4.35
Rot. Bonds8

About 1-[4-(1-benzofuran-4-ylamino)-6-methoxyquinazolin-7-yl]oxy-3-piperidin-1-ylpropan-2-ol

1-[4-(1-benzofuran-4-ylamino)-6-methoxyquinazolin-7-yl]oxy-3-piperidin-1-ylpropan-2-ol (PubChem CID 10160964) has the molecular formula C25H28N4O4 and a molecular weight of 448.52 g/mol. Its IUPAC name is 1-[4-(1-benzofuran-4-ylamino)-6-methoxyquinazolin-7-yl]oxy-3-piperidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-[4-(1-benzofuran-4-ylamino)-6-methoxyquinazolin-7-yl]oxy-3-piperidin-1-ylpropan-2-ol
PubChem CID10160964
Molecular FormulaC25H28N4O4
Molecular Weight448.52 g/mol
Exact Mass448.21
IUPAC Name1-[4-(1-benzofuran-4-ylamino)-6-methoxyquinazolin-7-yl]oxy-3-piperidin-1-ylpropan-2-ol
SMILESCOc1cc2c(Nc3cccc4occc34)ncnc2cc1OCC(O)CN1CCCCC1
InChIInChI=1S/C25H28N4O4/c1-31-23-12-19-21(13-24(23)33-15-17(30)14-29-9-3-2-4-10-29)26-16-27-25(19)28-20-6-5-7-22-18(20)8-11-32-22/h5-8,11-13,16-17,30H,2-4,9-10,14-15H2,1H3,(H,26,27,28)
InChIKeyOXGORLMHKIFENO-UHFFFAOYSA-N
XLogP4.35
TPSA92.88 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[4-(1-benzofuran-4-ylamino)-6-methoxyquinazolin-7-yl]oxy-3-piperidin-1-ylpropan-2-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

1-[4-[(3-chloro-1-benzofuran-7-yl)amino]-6-methoxyquinazolin-7-yl]oxy-3-morpholin-4-ylpropan-2-ol
CID 10116957
2-[4-[3-[4-(cyclopenta[b]pyran-5-ylamino)-6-methoxyquinazolin-7-yl]oxy-2-hydroxypropyl]piperazin-1-yl]acetonitrile
CID 87555418
N-(1,3-benzodioxol-4-yl)-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-amine
CID 10296738
1-(6-methoxyquinazolin-7-yl)oxy-3-piperidin-1-ylpropan-2-ol
CID 91207710
6,7-dimethoxy-N-naphthalen-1-ylquinazolin-4-amine;hydrochloride
CID 18770834
1-(azepan-1-yl)-3-[4-[4-(4-tert-butylanilino)phenoxy]-6-methoxyquinolin-7-yl]oxypropan-2-ol
CID 23022649
N-(4-bromo-2-fluorophenyl)-6-methoxy-7-(piperidin-1-ylmethoxy)quinazolin-4-amine;hydrochloride
CID 66608879
2-bromo-3-[(6,7-dimethoxyquinazolin-4-yl)amino]phenol;hydrochloride
CID 118112015
1-[4-(4-bromo-2-fluoroanilino)-6-methoxyquinazolin-7-yl]oxy-3-(1,3-thiazolidin-3-yl)propan-2-ol;N-(4-bromo-2-fluorophenyl)-6-methoxy-7-(oxiran-2-ylmethoxy)quinazolin-4-amine;1,3-thiazolidine
CID 157215871
1-[4-(4-chloro-2-fluoroanilino)-6-methylquinazolin-7-yl]oxy-3-morpholin-4-ylpropan-2-ol
CID 58780766
6-methoxy-N-(2-methoxyphenyl)-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 5330171
N-cyclopenta[b]pyran-5-yl-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine
CID 68738104

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-benzofuran-4-ylamino)-6-methoxyquinazolin-7-yl]oxy-3-piperidin-1-ylpropan-2-ol?
The IUPAC name of 1-[4-(1-benzofuran-4-ylamino)-6-methoxyquinazolin-7-yl]oxy-3-piperidin-1-ylpropan-2-ol (CID 10160964) is 1-[4-(1-benzofuran-4-ylamino)-6-methoxyquinazolin-7-yl]oxy-3-piperidin-1-ylpropan-2-ol.
What is the SMILES notation for 1-[4-(1-benzofuran-4-ylamino)-6-methoxyquinazolin-7-yl]oxy-3-piperidin-1-ylpropan-2-ol?
The canonical SMILES for 1-[4-(1-benzofuran-4-ylamino)-6-methoxyquinazolin-7-yl]oxy-3-piperidin-1-ylpropan-2-ol is COc1cc2c(Nc3cccc4occc34)ncnc2cc1OCC(O)CN1CCCCC1.
What is the InChIKey of 1-[4-(1-benzofuran-4-ylamino)-6-methoxyquinazolin-7-yl]oxy-3-piperidin-1-ylpropan-2-ol?
The InChIKey is OXGORLMHKIFENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O4/c1-31-23-12-19-21(13-24(23)33-15-17(30)14-29-9-3-2-4-10-29)26-16-27-25(19)28-20-6-5-7-22-18(20)8-11-32-22/h5-8,11-13,16-17,30H,2-4,9-10,14-15H2,1H3,(H,26,27,28).
What are the key properties of 1-[4-(1-benzofuran-4-ylamino)-6-methoxyquinazolin-7-yl]oxy-3-piperidin-1-ylpropan-2-ol?
1-[4-(1-benzofuran-4-ylamino)-6-methoxyquinazolin-7-yl]oxy-3-piperidin-1-ylpropan-2-ol has a molecular weight of 448.52 g/mol, XLogP of 4.35, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-benzofuran-4-ylamino)-6-methoxyquinazolin-7-yl]oxy-3-piperidin-1-ylpropan-2-ol is sourced from PubChem (CID 10160964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).