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

C20H16F2N4O — CID 159505820

IUPAC(3,4-difluorophenyl)-[4-[(3-methyl-2H-pyrrol-5-yl)amino]quinazolin-2-yl]methanol
SMILESCC1=CC(Nc2nc(C(O)c3ccc(F)c(F)c3)nc3ccccc23)=NC1
InChIInChI=1S/C20H16F2N4O/c1-11-8-17(23-10-11)25-19-13-4-2-3-5-16(13)24-20(26-19)18(27)12-6-7-14(21)15(22)9-12/h2-9,18,27H,10H2,1H3,(H,23,24,25,26)
InChIKeyLZYXKCFFSLPILY-UHFFFAOYSA-N
MW366.37 g/mol
LogP3.76
Rot. Bonds3

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

(3,4-difluorophenyl)-[4-[(3-methyl-2H-pyrrol-5-yl)amino]quinazolin-2-yl]methanol (PubChem CID 159505820) has the molecular formula C20H16F2N4O and a molecular weight of 366.37 g/mol. Its IUPAC name is (3,4-difluorophenyl)-[4-[(3-methyl-2H-pyrrol-5-yl)amino]quinazolin-2-yl]methanol.

Molecular Properties

Compound Name(3,4-difluorophenyl)-[4-[(3-methyl-2H-pyrrol-5-yl)amino]quinazolin-2-yl]methanol
PubChem CID159505820
Molecular FormulaC20H16F2N4O
Molecular Weight366.37 g/mol
Exact Mass366.13
IUPAC Name(3,4-difluorophenyl)-[4-[(3-methyl-2H-pyrrol-5-yl)amino]quinazolin-2-yl]methanol
SMILESCC1=CC(Nc2nc(C(O)c3ccc(F)c(F)c3)nc3ccccc23)=NC1
InChIInChI=1S/C20H16F2N4O/c1-11-8-17(23-10-11)25-19-13-4-2-3-5-16(13)24-20(26-19)18(27)12-6-7-14(21)15(22)9-12/h2-9,18,27H,10H2,1H3,(H,23,24,25,26)
InChIKeyLZYXKCFFSLPILY-UHFFFAOYSA-N
XLogP3.76
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(S)-(4-fluorophenyl)-[4-[(3-methyl-2H-pyrrol-5-yl)amino]quinazolin-2-yl]methanol
CID 147527260
2-[difluoro-(4-fluorophenyl)methyl]-N-(3-methyl-2H-pyrrol-5-yl)quinazolin-4-amine
CID 159612884
(3,4-difluorophenyl)-(4-methylquinolin-2-yl)methanol
CID 114754840
(S)-(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methanol sulfate
CID 71727288
(4-fluorophenyl)-[4-(1H-imidazol-5-ylamino)quinazolin-2-yl]methanol
CID 56929078
(4-fluoro-3-methylphenyl)-(2-methylquinolin-4-yl)methanol
CID 79233806
(R)-(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methanol;(S)-(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methanol;bis((4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methanone);methane;hydroiodide
CID 158784627
N-(3-chloro-4-fluorophenyl)-2-propan-2-ylquinazolin-4-amine
CID 21003823
[2-[difluoro-(4-fluorophenyl)methyl]-4-[(3-methyl-2H-pyrrol-5-yl)amino]quinazolin-7-yl]methanol
CID 148765001
(3,4-difluorophenyl)-(2-fluorophenyl)methanol
CID 61088873
(4-chlorophenyl)-(2-methylquinolin-4-yl)methanol
CID 79234879
(3,4-difluorophenyl)-(2-fluoro-3-methylphenyl)methanol
CID 81477927

Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-[4-[(3-methyl-2H-pyrrol-5-yl)amino]quinazolin-2-yl]methanol?
The IUPAC name of (3,4-difluorophenyl)-[4-[(3-methyl-2H-pyrrol-5-yl)amino]quinazolin-2-yl]methanol (CID 159505820) is (3,4-difluorophenyl)-[4-[(3-methyl-2H-pyrrol-5-yl)amino]quinazolin-2-yl]methanol.
What is the SMILES notation for (3,4-difluorophenyl)-[4-[(3-methyl-2H-pyrrol-5-yl)amino]quinazolin-2-yl]methanol?
The canonical SMILES for (3,4-difluorophenyl)-[4-[(3-methyl-2H-pyrrol-5-yl)amino]quinazolin-2-yl]methanol is CC1=CC(Nc2nc(C(O)c3ccc(F)c(F)c3)nc3ccccc23)=NC1.
What is the InChIKey of (3,4-difluorophenyl)-[4-[(3-methyl-2H-pyrrol-5-yl)amino]quinazolin-2-yl]methanol?
The InChIKey is LZYXKCFFSLPILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N4O/c1-11-8-17(23-10-11)25-19-13-4-2-3-5-16(13)24-20(26-19)18(27)12-6-7-14(21)15(22)9-12/h2-9,18,27H,10H2,1H3,(H,23,24,25,26).
What are the key properties of (3,4-difluorophenyl)-[4-[(3-methyl-2H-pyrrol-5-yl)amino]quinazolin-2-yl]methanol?
(3,4-difluorophenyl)-[4-[(3-methyl-2H-pyrrol-5-yl)amino]quinazolin-2-yl]methanol has a molecular weight of 366.37 g/mol, XLogP of 3.76, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-[4-[(3-methyl-2H-pyrrol-5-yl)amino]quinazolin-2-yl]methanol is sourced from PubChem (CID 159505820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).