1-[[3-[4-[cyclopropyl(methyl)amino]quinazolin-6-yl]phenyl]methyl]pyrrole-2,5-diol

C23H22N4O2 — CID 90955696

IUPAC1-[[3-[4-[cyclopropyl(methyl)amino]quinazolin-6-yl]phenyl]methyl]pyrrole-2,5-diol
SMILESCN(c1ncnc2ccc(-c3cccc(Cn4c(O)ccc4O)c3)cc12)C1CC1
InChIInChI=1S/C23H22N4O2/c1-26(18-6-7-18)23-19-12-17(5-8-20(19)24-14-25-23)16-4-2-3-15(11-16)13-27-21(28)9-10-22(27)29/h2-5,8-12,14,18,28-29H,6-7,13H2,1H3
InChIKeyGIDDOFPGONPRRV-UHFFFAOYSA-N
MW386.46 g/mol
LogP4.16
Rot. Bonds5

About 1-[[3-[4-[cyclopropyl(methyl)amino]quinazolin-6-yl]phenyl]methyl]pyrrole-2,5-diol

1-[[3-[4-[cyclopropyl(methyl)amino]quinazolin-6-yl]phenyl]methyl]pyrrole-2,5-diol (PubChem CID 90955696) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is 1-[[3-[4-[cyclopropyl(methyl)amino]quinazolin-6-yl]phenyl]methyl]pyrrole-2,5-diol.

Molecular Properties

Compound Name1-[[3-[4-[cyclopropyl(methyl)amino]quinazolin-6-yl]phenyl]methyl]pyrrole-2,5-diol
PubChem CID90955696
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC Name1-[[3-[4-[cyclopropyl(methyl)amino]quinazolin-6-yl]phenyl]methyl]pyrrole-2,5-diol
SMILESCN(c1ncnc2ccc(-c3cccc(Cn4c(O)ccc4O)c3)cc12)C1CC1
InChIInChI=1S/C23H22N4O2/c1-26(18-6-7-18)23-19-12-17(5-8-20(19)24-14-25-23)16-4-2-3-15(11-16)13-27-21(28)9-10-22(27)29/h2-5,8-12,14,18,28-29H,6-7,13H2,1H3
InChIKeyGIDDOFPGONPRRV-UHFFFAOYSA-N
XLogP4.16
TPSA74.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[[3-[4-[cyclopropyl(methyl)amino]quinazolin-6-yl]phenyl]methyl]pyrrole-2,5-diol 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 1-[[3-[4-[cyclopropyl(methyl)amino]quinazolin-6-yl]phenyl]methyl]pyrrole-2,5-diol?
The IUPAC name of 1-[[3-[4-[cyclopropyl(methyl)amino]quinazolin-6-yl]phenyl]methyl]pyrrole-2,5-diol (CID 90955696) is 1-[[3-[4-[cyclopropyl(methyl)amino]quinazolin-6-yl]phenyl]methyl]pyrrole-2,5-diol.
What is the SMILES notation for 1-[[3-[4-[cyclopropyl(methyl)amino]quinazolin-6-yl]phenyl]methyl]pyrrole-2,5-diol?
The canonical SMILES for 1-[[3-[4-[cyclopropyl(methyl)amino]quinazolin-6-yl]phenyl]methyl]pyrrole-2,5-diol is CN(c1ncnc2ccc(-c3cccc(Cn4c(O)ccc4O)c3)cc12)C1CC1.
What is the InChIKey of 1-[[3-[4-[cyclopropyl(methyl)amino]quinazolin-6-yl]phenyl]methyl]pyrrole-2,5-diol?
The InChIKey is GIDDOFPGONPRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-26(18-6-7-18)23-19-12-17(5-8-20(19)24-14-25-23)16-4-2-3-15(11-16)13-27-21(28)9-10-22(27)29/h2-5,8-12,14,18,28-29H,6-7,13H2,1H3.
What are the key properties of 1-[[3-[4-[cyclopropyl(methyl)amino]quinazolin-6-yl]phenyl]methyl]pyrrole-2,5-diol?
1-[[3-[4-[cyclopropyl(methyl)amino]quinazolin-6-yl]phenyl]methyl]pyrrole-2,5-diol has a molecular weight of 386.46 g/mol, XLogP of 4.16, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[4-[cyclopropyl(methyl)amino]quinazolin-6-yl]phenyl]methyl]pyrrole-2,5-diol is sourced from PubChem (CID 90955696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).