(S)-(4-fluorophenyl)-[4-[(3-methyl-2H-pyrrol-5-yl)amino]quinazolin-2-yl]methanol

C20H17FN4O — CID 147527260

IUPAC(S)-(4-fluorophenyl)-[4-[(3-methyl-2H-pyrrol-5-yl)amino]quinazolin-2-yl]methanol
SMILESCC1=CC(Nc2nc([C@@H](O)c3ccc(F)cc3)nc3ccccc23)=NC1
InChIInChI=1S/C20H17FN4O/c1-12-10-17(22-11-12)24-19-15-4-2-3-5-16(15)23-20(25-19)18(26)13-6-8-14(21)9-7-13/h2-10,18,26H,11H2,1H3,(H,22,23,24,25)/t18-/m0/s1
InChIKeyFMILXJQXPFGODR-SFHVURJKSA-N
MW348.38 g/mol
LogP3.62
Rot. Bonds3

About (S)-(4-fluorophenyl)-[4-[(3-methyl-2H-pyrrol-5-yl)amino]quinazolin-2-yl]methanol

(S)-(4-fluorophenyl)-[4-[(3-methyl-2H-pyrrol-5-yl)amino]quinazolin-2-yl]methanol (PubChem CID 147527260) has the molecular formula C20H17FN4O and a molecular weight of 348.38 g/mol. Its IUPAC name is (S)-(4-fluorophenyl)-[4-[(3-methyl-2H-pyrrol-5-yl)amino]quinazolin-2-yl]methanol.

Molecular Properties

Compound Name(S)-(4-fluorophenyl)-[4-[(3-methyl-2H-pyrrol-5-yl)amino]quinazolin-2-yl]methanol
PubChem CID147527260
Molecular FormulaC20H17FN4O
Molecular Weight348.38 g/mol
Exact Mass348.14
IUPAC Name(S)-(4-fluorophenyl)-[4-[(3-methyl-2H-pyrrol-5-yl)amino]quinazolin-2-yl]methanol
SMILESCC1=CC(Nc2nc([C@@H](O)c3ccc(F)cc3)nc3ccccc23)=NC1
InChIInChI=1S/C20H17FN4O/c1-12-10-17(22-11-12)24-19-15-4-2-3-5-16(15)23-20(25-19)18(26)13-6-8-14(21)9-7-13/h2-10,18,26H,11H2,1H3,(H,22,23,24,25)/t18-/m0/s1
InChIKeyFMILXJQXPFGODR-SFHVURJKSA-N
XLogP3.62
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (S)-(4-fluorophenyl)-[4-[(3-methyl-2H-pyrrol-5-yl)amino]quinazolin-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 (S)-(4-fluorophenyl)-[4-[(3-methyl-2H-pyrrol-5-yl)amino]quinazolin-2-yl]methanol?
The IUPAC name of (S)-(4-fluorophenyl)-[4-[(3-methyl-2H-pyrrol-5-yl)amino]quinazolin-2-yl]methanol (CID 147527260) is (S)-(4-fluorophenyl)-[4-[(3-methyl-2H-pyrrol-5-yl)amino]quinazolin-2-yl]methanol.
What is the SMILES notation for (S)-(4-fluorophenyl)-[4-[(3-methyl-2H-pyrrol-5-yl)amino]quinazolin-2-yl]methanol?
The canonical SMILES for (S)-(4-fluorophenyl)-[4-[(3-methyl-2H-pyrrol-5-yl)amino]quinazolin-2-yl]methanol is CC1=CC(Nc2nc([C@@H](O)c3ccc(F)cc3)nc3ccccc23)=NC1.
What is the InChIKey of (S)-(4-fluorophenyl)-[4-[(3-methyl-2H-pyrrol-5-yl)amino]quinazolin-2-yl]methanol?
The InChIKey is FMILXJQXPFGODR-SFHVURJKSA-N. The full InChI is InChI=1S/C20H17FN4O/c1-12-10-17(22-11-12)24-19-15-4-2-3-5-16(15)23-20(25-19)18(26)13-6-8-14(21)9-7-13/h2-10,18,26H,11H2,1H3,(H,22,23,24,25)/t18-/m0/s1.
What are the key properties of (S)-(4-fluorophenyl)-[4-[(3-methyl-2H-pyrrol-5-yl)amino]quinazolin-2-yl]methanol?
(S)-(4-fluorophenyl)-[4-[(3-methyl-2H-pyrrol-5-yl)amino]quinazolin-2-yl]methanol has a molecular weight of 348.38 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(4-fluorophenyl)-[4-[(3-methyl-2H-pyrrol-5-yl)amino]quinazolin-2-yl]methanol is sourced from PubChem (CID 147527260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).