1-(quinazolin-4-ylamino)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol

C18H16F3N3O2 — CID 47982802

IUPAC1-(quinazolin-4-ylamino)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol
SMILESOC(CNc1ncnc2ccccc12)COc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H16F3N3O2/c19-18(20,21)12-4-3-5-14(8-12)26-10-13(25)9-22-17-15-6-1-2-7-16(15)23-11-24-17/h1-8,11,13,25H,9-10H2,(H,22,23,24)
InChIKeyMOJIGUZFOLWZAJ-UHFFFAOYSA-N
MW363.34 g/mol
LogP3.50
Rot. Bonds6

About 1-(quinazolin-4-ylamino)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol

1-(quinazolin-4-ylamino)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol (PubChem CID 47982802) has the molecular formula C18H16F3N3O2 and a molecular weight of 363.34 g/mol. Its IUPAC name is 1-(quinazolin-4-ylamino)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-(quinazolin-4-ylamino)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol
PubChem CID47982802
Molecular FormulaC18H16F3N3O2
Molecular Weight363.34 g/mol
Exact Mass363.12
IUPAC Name1-(quinazolin-4-ylamino)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol
SMILESOC(CNc1ncnc2ccccc12)COc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H16F3N3O2/c19-18(20,21)12-4-3-5-14(8-12)26-10-13(25)9-22-17-15-6-1-2-7-16(15)23-11-24-17/h1-8,11,13,25H,9-10H2,(H,22,23,24)
InChIKeyMOJIGUZFOLWZAJ-UHFFFAOYSA-N
XLogP3.50
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.34
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(pyridin-2-ylamino)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol
CID 133274208
1-(propylamino)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol
CID 43166208
N-[(2S)-2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]benzamide
CID 52503690
5-[[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]amino]pyrazine-2-carboxylic acid
CID 122053273
N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-1H-indazole-3-carboxamide
CID 47932682
1-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
CID 133273633
2-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-2-methylpropanamide;hydrochloride
CID 119304963
1-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-3-(2-phenylethyl)urea
CID 22282753
4-methyl-1-[3-(trifluoromethyl)phenoxy]pentan-2-ol
CID 117241710
3-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-3-phenylpropanamide
CID 119950634
(2S)-2-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-3-methylbutanamide;hydrochloride
CID 119304985
(2S)-2-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-3-phenylpropanamide;hydrochloride
CID 119304969

Frequently Asked Questions

What is the IUPAC name of 1-(quinazolin-4-ylamino)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol?
The IUPAC name of 1-(quinazolin-4-ylamino)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol (CID 47982802) is 1-(quinazolin-4-ylamino)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol.
What is the SMILES notation for 1-(quinazolin-4-ylamino)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol?
The canonical SMILES for 1-(quinazolin-4-ylamino)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol is OC(CNc1ncnc2ccccc12)COc1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-(quinazolin-4-ylamino)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol?
The InChIKey is MOJIGUZFOLWZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O2/c19-18(20,21)12-4-3-5-14(8-12)26-10-13(25)9-22-17-15-6-1-2-7-16(15)23-11-24-17/h1-8,11,13,25H,9-10H2,(H,22,23,24).
What are the key properties of 1-(quinazolin-4-ylamino)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol?
1-(quinazolin-4-ylamino)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol has a molecular weight of 363.34 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(quinazolin-4-ylamino)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol is sourced from PubChem (CID 47982802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).