7-methoxy-4-[5-phenyl-1-(trifluoromethyl)pyrazol-4-yl]quinazolin-6-amine

C19H14F3N5O — CID 169230962

IUPAC7-methoxy-4-[5-phenyl-1-(trifluoromethyl)pyrazol-4-yl]quinazolin-6-amine
SMILESCOc1cc2ncnc(-c3cnn(C(F)(F)F)c3-c3ccccc3)c2cc1N
InChIInChI=1S/C19H14F3N5O/c1-28-16-8-15-12(7-14(16)23)17(25-10-24-15)13-9-26-27(19(20,21)22)18(13)11-5-3-2-4-6-11/h2-10H,23H2,1H3
InChIKeyDBPKKBCRAYFGIE-UHFFFAOYSA-N
MW385.35 g/mol
LogP4.23
Rot. Bonds3

About 7-methoxy-4-[5-phenyl-1-(trifluoromethyl)pyrazol-4-yl]quinazolin-6-amine

7-methoxy-4-[5-phenyl-1-(trifluoromethyl)pyrazol-4-yl]quinazolin-6-amine (PubChem CID 169230962) has the molecular formula C19H14F3N5O and a molecular weight of 385.35 g/mol. Its IUPAC name is 7-methoxy-4-[5-phenyl-1-(trifluoromethyl)pyrazol-4-yl]quinazolin-6-amine.

Molecular Properties

Compound Name7-methoxy-4-[5-phenyl-1-(trifluoromethyl)pyrazol-4-yl]quinazolin-6-amine
PubChem CID169230962
Molecular FormulaC19H14F3N5O
Molecular Weight385.35 g/mol
Exact Mass385.12
IUPAC Name7-methoxy-4-[5-phenyl-1-(trifluoromethyl)pyrazol-4-yl]quinazolin-6-amine
SMILESCOc1cc2ncnc(-c3cnn(C(F)(F)F)c3-c3ccccc3)c2cc1N
InChIInChI=1S/C19H14F3N5O/c1-28-16-8-15-12(7-14(16)23)17(25-10-24-15)13-9-26-27(19(20,21)22)18(13)11-5-3-2-4-6-11/h2-10H,23H2,1H3
InChIKeyDBPKKBCRAYFGIE-UHFFFAOYSA-N
XLogP4.23
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.35
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-amine
CID 169231992
4-[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]-7-methoxyquinazolin-6-amine
CID 169231719
7-methoxy-6-nitro-4-[3-phenyl-1-(trifluoromethyl)pyrazol-4-yl]quinazoline
CID 169230991
6-bromo-4-(1-ethyl-3-phenylpyrazol-4-yl)-7-methoxyquinazoline
CID 169231514
7-methoxy-4-N-(1-phenylethyl)quinazoline-4,6-diamine
CID 22269913
1-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]ethanone
CID 169231124
2-(6,7-dimethoxyquinazolin-4-yl)-4-ethynylaniline
CID 139771354
6-(3,4-dimethoxyphenyl)-4-phenylquinazoline
CID 25054917
6,7-dimethoxy-N-(2,2,2-trifluoro-1-phenylethyl)quinazolin-4-amine
CID 18788999
6-methoxyquinazoline-4,7-diamine
CID 142061671
N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]-5-methyl-1-(trifluoromethyl)pyrazole-4-carboxamide
CID 169231206
6-[(3S,4S)-4-fluoro-1-methylpyrrolidin-3-yl]oxy-7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazoline
CID 169231902

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-[5-phenyl-1-(trifluoromethyl)pyrazol-4-yl]quinazolin-6-amine?
The IUPAC name of 7-methoxy-4-[5-phenyl-1-(trifluoromethyl)pyrazol-4-yl]quinazolin-6-amine (CID 169230962) is 7-methoxy-4-[5-phenyl-1-(trifluoromethyl)pyrazol-4-yl]quinazolin-6-amine.
What is the SMILES notation for 7-methoxy-4-[5-phenyl-1-(trifluoromethyl)pyrazol-4-yl]quinazolin-6-amine?
The canonical SMILES for 7-methoxy-4-[5-phenyl-1-(trifluoromethyl)pyrazol-4-yl]quinazolin-6-amine is COc1cc2ncnc(-c3cnn(C(F)(F)F)c3-c3ccccc3)c2cc1N.
What is the InChIKey of 7-methoxy-4-[5-phenyl-1-(trifluoromethyl)pyrazol-4-yl]quinazolin-6-amine?
The InChIKey is DBPKKBCRAYFGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N5O/c1-28-16-8-15-12(7-14(16)23)17(25-10-24-15)13-9-26-27(19(20,21)22)18(13)11-5-3-2-4-6-11/h2-10H,23H2,1H3.
What are the key properties of 7-methoxy-4-[5-phenyl-1-(trifluoromethyl)pyrazol-4-yl]quinazolin-6-amine?
7-methoxy-4-[5-phenyl-1-(trifluoromethyl)pyrazol-4-yl]quinazolin-6-amine has a molecular weight of 385.35 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-[5-phenyl-1-(trifluoromethyl)pyrazol-4-yl]quinazolin-6-amine is sourced from PubChem (CID 169230962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).