[5-[4-(4-morpholin-4-ylanilino)quinazolin-6-yl]furan-2-yl]methanol

C23H22N4O3 — CID 15956160

IUPAC[5-[4-(4-morpholin-4-ylanilino)quinazolin-6-yl]furan-2-yl]methanol
SMILESOCc1ccc(-c2ccc3ncnc(Nc4ccc(N5CCOCC5)cc4)c3c2)o1
InChIInChI=1S/C23H22N4O3/c28-14-19-6-8-22(30-19)16-1-7-21-20(13-16)23(25-15-24-21)26-17-2-4-18(5-3-17)27-9-11-29-12-10-27/h1-8,13,15,28H,9-12,14H2,(H,24,25,26)
InChIKeyLYZRWTKFOBBKKS-UHFFFAOYSA-N
MW402.45 g/mol
LogP3.96
Rot. Bonds5

About [5-[4-(4-morpholin-4-ylanilino)quinazolin-6-yl]furan-2-yl]methanol

[5-[4-(4-morpholin-4-ylanilino)quinazolin-6-yl]furan-2-yl]methanol (PubChem CID 15956160) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is [5-[4-(4-morpholin-4-ylanilino)quinazolin-6-yl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[4-(4-morpholin-4-ylanilino)quinazolin-6-yl]furan-2-yl]methanol
PubChem CID15956160
Molecular FormulaC23H22N4O3
Molecular Weight402.45 g/mol
Exact Mass402.17
IUPAC Name[5-[4-(4-morpholin-4-ylanilino)quinazolin-6-yl]furan-2-yl]methanol
SMILESOCc1ccc(-c2ccc3ncnc(Nc4ccc(N5CCOCC5)cc4)c3c2)o1
InChIInChI=1S/C23H22N4O3/c28-14-19-6-8-22(30-19)16-1-7-21-20(13-16)23(25-15-24-21)26-17-2-4-18(5-3-17)27-9-11-29-12-10-27/h1-8,13,15,28H,9-12,14H2,(H,24,25,26)
InChIKeyLYZRWTKFOBBKKS-UHFFFAOYSA-N
XLogP3.96
TPSA83.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze [5-[4-(4-morpholin-4-ylanilino)quinazolin-6-yl]furan-2-yl]methanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-[4-(4-morpholin-4-ylanilino)quinazolin-6-yl]furan-2-yl]methanol?
The IUPAC name of [5-[4-(4-morpholin-4-ylanilino)quinazolin-6-yl]furan-2-yl]methanol (CID 15956160) is [5-[4-(4-morpholin-4-ylanilino)quinazolin-6-yl]furan-2-yl]methanol.
What is the SMILES notation for [5-[4-(4-morpholin-4-ylanilino)quinazolin-6-yl]furan-2-yl]methanol?
The canonical SMILES for [5-[4-(4-morpholin-4-ylanilino)quinazolin-6-yl]furan-2-yl]methanol is OCc1ccc(-c2ccc3ncnc(Nc4ccc(N5CCOCC5)cc4)c3c2)o1.
What is the InChIKey of [5-[4-(4-morpholin-4-ylanilino)quinazolin-6-yl]furan-2-yl]methanol?
The InChIKey is LYZRWTKFOBBKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3/c28-14-19-6-8-22(30-19)16-1-7-21-20(13-16)23(25-15-24-21)26-17-2-4-18(5-3-17)27-9-11-29-12-10-27/h1-8,13,15,28H,9-12,14H2,(H,24,25,26).
What are the key properties of [5-[4-(4-morpholin-4-ylanilino)quinazolin-6-yl]furan-2-yl]methanol?
[5-[4-(4-morpholin-4-ylanilino)quinazolin-6-yl]furan-2-yl]methanol has a molecular weight of 402.45 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[4-(4-morpholin-4-ylanilino)quinazolin-6-yl]furan-2-yl]methanol is sourced from PubChem (CID 15956160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).