2-(4-fluorophenyl)-2-[6-fluoro-4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]ethanol

C19H15F2N5O — CID 91602679

IUPAC2-(4-fluorophenyl)-2-[6-fluoro-4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]ethanol
SMILESOCC(c1ccc(F)cc1)c1nc(Nc2ccn[nH]2)c2cc(F)ccc2n1
InChIInChI=1S/C19H15F2N5O/c20-12-3-1-11(2-4-12)15(10-27)19-23-16-6-5-13(21)9-14(16)18(25-19)24-17-7-8-22-26-17/h1-9,15,27H,10H2,(H2,22,23,24,25,26)
InChIKeyQMDMRSNBXWISJA-UHFFFAOYSA-N
MW367.36 g/mol
LogP3.50
Rot. Bonds5

About 2-(4-fluorophenyl)-2-[6-fluoro-4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]ethanol

2-(4-fluorophenyl)-2-[6-fluoro-4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]ethanol (PubChem CID 91602679) has the molecular formula C19H15F2N5O and a molecular weight of 367.36 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-2-[6-fluoro-4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]ethanol.

Molecular Properties

Compound Name2-(4-fluorophenyl)-2-[6-fluoro-4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]ethanol
PubChem CID91602679
Molecular FormulaC19H15F2N5O
Molecular Weight367.36 g/mol
Exact Mass367.12
IUPAC Name2-(4-fluorophenyl)-2-[6-fluoro-4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]ethanol
SMILESOCC(c1ccc(F)cc1)c1nc(Nc2ccn[nH]2)c2cc(F)ccc2n1
InChIInChI=1S/C19H15F2N5O/c20-12-3-1-11(2-4-12)15(10-27)19-23-16-6-5-13(21)9-14(16)18(25-19)24-17-7-8-22-26-17/h1-9,15,27H,10H2,(H2,22,23,24,25,26)
InChIKeyQMDMRSNBXWISJA-UHFFFAOYSA-N
XLogP3.50
TPSA86.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-(4-fluorophenyl)-2-[6-fluoro-4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]ethanol with MolForge

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Related Compounds

(S)-(4-Fluorophenyl)(4-((5-methyl-1H-pyrazol-3-yl)amino)quinazolin-2-yl)methanol
CID 56833308
(R)-(4-fluorophenyl)(4-((5-methyl-1H-pyrazol-3-yl)amino)quinazolin-2-yl)methanol
CID 56833309
Ac-430
CID 46892373
2-phenyl-N-(1H-pyrazol-5-yl)quinazolin-4-amine
CID 9814443
2-[[2-[(1S)-1-amino-2-(3-fluorophenyl)ethyl]-6-(1H-pyrazol-4-yl)quinazolin-4-yl]-methylamino]ethanol
CID 46207055
2-[[2-[(1R)-1-amino-2-(3-fluorophenyl)ethyl]-6-(1H-pyrazol-4-yl)quinazolin-4-yl]-methylamino]ethanol
CID 68623896
3-[[2-[(1R)-1-amino-2-(3-fluorophenyl)ethyl]-6-(1H-pyrazol-4-yl)quinazolin-4-yl]-methylamino]propan-1-ol
CID 70889439
2-(4-fluorophenyl)-N-(1H-pyrazol-3-yl)quinazolin-4-amine
CID 70693803
N-[2-[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]phenyl]prop-2-enamide
CID 122186131
5-fluoro-2-N-(2-phenylethyl)-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine
CID 164628478
(R)-3-Phenyl-3-[6-(1H-
CID 135281236
((S)-2-Hydroxy-1-phenyl-
CID 137366703

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-2-[6-fluoro-4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]ethanol?
The IUPAC name of 2-(4-fluorophenyl)-2-[6-fluoro-4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]ethanol (CID 91602679) is 2-(4-fluorophenyl)-2-[6-fluoro-4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]ethanol.
What is the SMILES notation for 2-(4-fluorophenyl)-2-[6-fluoro-4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]ethanol?
The canonical SMILES for 2-(4-fluorophenyl)-2-[6-fluoro-4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]ethanol is OCC(c1ccc(F)cc1)c1nc(Nc2ccn[nH]2)c2cc(F)ccc2n1.
What is the InChIKey of 2-(4-fluorophenyl)-2-[6-fluoro-4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]ethanol?
The InChIKey is QMDMRSNBXWISJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N5O/c20-12-3-1-11(2-4-12)15(10-27)19-23-16-6-5-13(21)9-14(16)18(25-19)24-17-7-8-22-26-17/h1-9,15,27H,10H2,(H2,22,23,24,25,26).
What are the key properties of 2-(4-fluorophenyl)-2-[6-fluoro-4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]ethanol?
2-(4-fluorophenyl)-2-[6-fluoro-4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]ethanol has a molecular weight of 367.36 g/mol, XLogP of 3.50, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-2-[6-fluoro-4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]ethanol is sourced from PubChem (CID 91602679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).