2-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]-2-methylpropan-1-ol

C14H16F3N3O2 — CID 110433067

IUPAC2-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]-2-methylpropan-1-ol
SMILESCOc1ccc2c(NC(C)(C)CO)nc(C(F)(F)F)nc2c1
InChIInChI=1S/C14H16F3N3O2/c1-13(2,7-21)20-11-9-5-4-8(22-3)6-10(9)18-12(19-11)14(15,16)17/h4-6,21H,7H2,1-3H3,(H,18,19,20)
InChIKeyQSICDEMKGQIWTG-UHFFFAOYSA-N
MW315.30 g/mol
LogP2.84
Rot. Bonds4

About 2-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]-2-methylpropan-1-ol

2-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]-2-methylpropan-1-ol (PubChem CID 110433067) has the molecular formula C14H16F3N3O2 and a molecular weight of 315.30 g/mol. Its IUPAC name is 2-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]-2-methylpropan-1-ol
PubChem CID110433067
Molecular FormulaC14H16F3N3O2
Molecular Weight315.30 g/mol
Exact Mass315.12
IUPAC Name2-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]-2-methylpropan-1-ol
SMILESCOc1ccc2c(NC(C)(C)CO)nc(C(F)(F)F)nc2c1
InChIInChI=1S/C14H16F3N3O2/c1-13(2,7-21)20-11-9-5-4-8(22-3)6-10(9)18-12(19-11)14(15,16)17/h4-6,21H,7H2,1-3H3,(H,18,19,20)
InChIKeyQSICDEMKGQIWTG-UHFFFAOYSA-N
XLogP2.84
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.30
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]-2-methylpropan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]-2-methylpropan-1-ol
CID 110433148
N-butyl-7-methoxy-2-(trifluoromethyl)quinazolin-4-amine
CID 110431380
7-methoxy-N-[(4-methylphenyl)methyl]-2-(trifluoromethyl)quinazolin-4-amine
CID 110431386
7-methoxy-N-(2-phenylethyl)-2-(trifluoromethyl)quinazolin-4-amine
CID 21003694
6-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]hexanoic acid
CID 21003748
2-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]-3-methylbutanoic acid
CID 21003732
7-methoxy-2-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 7719355
7-methoxy-N-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)quinazolin-4-amine
CID 110435775
2-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]-4-methylsulfanylbutanoic acid
CID 21003737
2-[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetic acid
CID 21003786
2-[ethyl-[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]ethanol
CID 110433325
2-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]-4-nitrophenol
CID 21003723

Frequently Asked Questions

What is the IUPAC name of 2-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]-2-methylpropan-1-ol?
The IUPAC name of 2-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]-2-methylpropan-1-ol (CID 110433067) is 2-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]-2-methylpropan-1-ol is COc1ccc2c(NC(C)(C)CO)nc(C(F)(F)F)nc2c1.
What is the InChIKey of 2-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]-2-methylpropan-1-ol?
The InChIKey is QSICDEMKGQIWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O2/c1-13(2,7-21)20-11-9-5-4-8(22-3)6-10(9)18-12(19-11)14(15,16)17/h4-6,21H,7H2,1-3H3,(H,18,19,20).
What are the key properties of 2-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]-2-methylpropan-1-ol?
2-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]-2-methylpropan-1-ol has a molecular weight of 315.30 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]-2-methylpropan-1-ol is sourced from PubChem (CID 110433067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).