(4-fluorophenyl)-[4-(1H-imidazol-5-ylamino)quinazolin-2-yl]methanol

C18H14FN5O — CID 56929078

IUPAC(4-fluorophenyl)-[4-(1H-imidazol-5-ylamino)quinazolin-2-yl]methanol
SMILESOC(c1ccc(F)cc1)c1nc(Nc2cnc[nH]2)c2ccccc2n1
InChIInChI=1S/C18H14FN5O/c19-12-7-5-11(6-8-12)16(25)18-22-14-4-2-1-3-13(14)17(24-18)23-15-9-20-10-21-15/h1-10,16,25H,(H,20,21)(H,22,23,24)
InChIKeyCBMHGKQGANFFNA-UHFFFAOYSA-N
MW335.34 g/mol
LogP3.32
Rot. Bonds4

About (4-fluorophenyl)-[4-(1H-imidazol-5-ylamino)quinazolin-2-yl]methanol

(4-fluorophenyl)-[4-(1H-imidazol-5-ylamino)quinazolin-2-yl]methanol (PubChem CID 56929078) has the molecular formula C18H14FN5O and a molecular weight of 335.34 g/mol. Its IUPAC name is (4-fluorophenyl)-[4-(1H-imidazol-5-ylamino)quinazolin-2-yl]methanol.

Molecular Properties

Compound Name(4-fluorophenyl)-[4-(1H-imidazol-5-ylamino)quinazolin-2-yl]methanol
PubChem CID56929078
Molecular FormulaC18H14FN5O
Molecular Weight335.34 g/mol
Exact Mass335.12
IUPAC Name(4-fluorophenyl)-[4-(1H-imidazol-5-ylamino)quinazolin-2-yl]methanol
SMILESOC(c1ccc(F)cc1)c1nc(Nc2cnc[nH]2)c2ccccc2n1
InChIInChI=1S/C18H14FN5O/c19-12-7-5-11(6-8-12)16(25)18-22-14-4-2-1-3-13(14)17(24-18)23-15-9-20-10-21-15/h1-10,16,25H,(H,20,21)(H,22,23,24)
InChIKeyCBMHGKQGANFFNA-UHFFFAOYSA-N
XLogP3.32
TPSA86.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 53.32
H-Bond Donors ≤ 53
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
(S)-(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methanol sulfate
CID 71727288
(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
(3,4-difluorophenyl)-[4-[(3-methyl-2H-pyrrol-5-yl)amino]quinazolin-2-yl]methanol
CID 159505820
(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-7-(trifluoromethyl)quinazolin-2-yl]methanol
CID 46892495
2-(3-fluorophenyl)-2-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]ethanol
CID 91267082
N-(3-chloro-4-fluorophenyl)-2-propan-2-ylquinazolin-4-amine
CID 21003823
2-N-(4-fluorophenyl)-4-N-phenylquinazoline-2,4-diamine;hydrochloride
CID 67720007
3-(5-fluoro-2-pyridinyl)-3-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]propanenitrile
CID 66614046
(3S)-3-(5-fluoro-2-pyridinyl)-3-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]propanenitrile
CID 66614048
(1S)-1-(4-fluorophenyl)-N,N-dimethyl-N'-[2-(trifluoromethyl)quinazolin-4-yl]ethane-1,2-diamine
CID 52680047
N-(4-fluorophenyl)-2-(trifluoromethyl)quinazolin-4-amine
CID 32677860

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[4-(1H-imidazol-5-ylamino)quinazolin-2-yl]methanol?
The IUPAC name of (4-fluorophenyl)-[4-(1H-imidazol-5-ylamino)quinazolin-2-yl]methanol (CID 56929078) is (4-fluorophenyl)-[4-(1H-imidazol-5-ylamino)quinazolin-2-yl]methanol.
What is the SMILES notation for (4-fluorophenyl)-[4-(1H-imidazol-5-ylamino)quinazolin-2-yl]methanol?
The canonical SMILES for (4-fluorophenyl)-[4-(1H-imidazol-5-ylamino)quinazolin-2-yl]methanol is OC(c1ccc(F)cc1)c1nc(Nc2cnc[nH]2)c2ccccc2n1.
What is the InChIKey of (4-fluorophenyl)-[4-(1H-imidazol-5-ylamino)quinazolin-2-yl]methanol?
The InChIKey is CBMHGKQGANFFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN5O/c19-12-7-5-11(6-8-12)16(25)18-22-14-4-2-1-3-13(14)17(24-18)23-15-9-20-10-21-15/h1-10,16,25H,(H,20,21)(H,22,23,24).
What are the key properties of (4-fluorophenyl)-[4-(1H-imidazol-5-ylamino)quinazolin-2-yl]methanol?
(4-fluorophenyl)-[4-(1H-imidazol-5-ylamino)quinazolin-2-yl]methanol has a molecular weight of 335.34 g/mol, XLogP of 3.32, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[4-(1H-imidazol-5-ylamino)quinazolin-2-yl]methanol is sourced from PubChem (CID 56929078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).