4-[7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-yl]phenol

C20H12F3N3O — CID 174467134

IUPAC4-[7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-yl]phenol
SMILESOc1ccc(-c2ncnc3cc(-c4ncccc4C(F)(F)F)ccc23)cc1
InChIInChI=1S/C20H12F3N3O/c21-20(22,23)16-2-1-9-24-19(16)13-5-8-15-17(10-13)25-11-26-18(15)12-3-6-14(27)7-4-12/h1-11,27H
InChIKeyQBEAPNSPZWRLJN-UHFFFAOYSA-N
MW367.33 g/mol
LogP5.08
Rot. Bonds2

About 4-[7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-yl]phenol

4-[7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-yl]phenol (PubChem CID 174467134) has the molecular formula C20H12F3N3O and a molecular weight of 367.33 g/mol. Its IUPAC name is 4-[7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-yl]phenol.

Molecular Properties

Compound Name4-[7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-yl]phenol
PubChem CID174467134
Molecular FormulaC20H12F3N3O
Molecular Weight367.33 g/mol
Exact Mass367.09
IUPAC Name4-[7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-yl]phenol
SMILESOc1ccc(-c2ncnc3cc(-c4ncccc4C(F)(F)F)ccc23)cc1
InChIInChI=1S/C20H12F3N3O/c21-20(22,23)16-2-1-9-24-19(16)13-5-8-15-17(10-13)25-11-26-18(15)12-3-6-14(27)7-4-12/h1-11,27H
InChIKeyQBEAPNSPZWRLJN-UHFFFAOYSA-N
XLogP5.08
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.33
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydro-1H-inden-2-yl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine
CID 11575026
4-[7-[2-(trifluoromethyl)phenyl]quinolin-4-yl]phenol
CID 174480072
N-[[4-(dimethylamino)phenyl]methyl]-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine
CID 11495522
2-(4-bromophenyl)-3-(trifluoromethyl)pyridine
CID 22030268
N-[1-(4-chlorophenyl)propan-2-yl]-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine
CID 11697948
N-[6-(2-methylpropyl)-3-pyridinyl]-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine
CID 22030006
2,3-dimethyl-4-[[7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-yl]amino]benzenesulfonamide
CID 141073269
7-[3-(trifluoromethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]quinolin-4-amine
CID 46203537
3-chloro-6-[3-(trifluoromethyl)-2-pyridinyl]-1,2-benzothiazole
CID 91550273
2-propan-2-yl-4-[[7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-yl]amino]benzenesulfonamide
CID 141073241
N-(4-tert-butylphenyl)-2-methyl-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine
CID 10216740
2-[4-[4-(trifluoromethyl)anilino]quinazolin-7-yl]pyridine-3-carboxylic acid
CID 22030503

Frequently Asked Questions

What is the IUPAC name of 4-[7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-yl]phenol?
The IUPAC name of 4-[7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-yl]phenol (CID 174467134) is 4-[7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-yl]phenol.
What is the SMILES notation for 4-[7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-yl]phenol?
The canonical SMILES for 4-[7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-yl]phenol is Oc1ccc(-c2ncnc3cc(-c4ncccc4C(F)(F)F)ccc23)cc1.
What is the InChIKey of 4-[7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-yl]phenol?
The InChIKey is QBEAPNSPZWRLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F3N3O/c21-20(22,23)16-2-1-9-24-19(16)13-5-8-15-17(10-13)25-11-26-18(15)12-3-6-14(27)7-4-12/h1-11,27H.
What are the key properties of 4-[7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-yl]phenol?
4-[7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-yl]phenol has a molecular weight of 367.33 g/mol, XLogP of 5.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-yl]phenol is sourced from PubChem (CID 174467134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).