2-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]-2-methylpropan-1-ol

C15H18F3N3O3 — CID 110433148

IUPAC2-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]-2-methylpropan-1-ol
SMILESCOc1cc2nc(C(F)(F)F)nc(NC(C)(C)CO)c2cc1OC
InChIInChI=1S/C15H18F3N3O3/c1-14(2,7-22)21-12-8-5-10(23-3)11(24-4)6-9(8)19-13(20-12)15(16,17)18/h5-6,22H,7H2,1-4H3,(H,19,20,21)
InChIKeyRMTNZBRQWCRKIN-UHFFFAOYSA-N
MW345.32 g/mol
LogP2.85
Rot. Bonds5

About 2-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]-2-methylpropan-1-ol

2-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]-2-methylpropan-1-ol (PubChem CID 110433148) has the molecular formula C15H18F3N3O3 and a molecular weight of 345.32 g/mol. Its IUPAC name is 2-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]-2-methylpropan-1-ol
PubChem CID110433148
Molecular FormulaC15H18F3N3O3
Molecular Weight345.32 g/mol
Exact Mass345.13
IUPAC Name2-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]-2-methylpropan-1-ol
SMILESCOc1cc2nc(C(F)(F)F)nc(NC(C)(C)CO)c2cc1OC
InChIInChI=1S/C15H18F3N3O3/c1-14(2,7-22)21-12-8-5-10(23-3)11(24-4)6-9(8)19-13(20-12)15(16,17)18/h5-6,22H,7H2,1-4H3,(H,19,20,21)
InChIKeyRMTNZBRQWCRKIN-UHFFFAOYSA-N
XLogP2.85
TPSA76.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.32
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]-2-methylpropan-1-ol with MolForge

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Related Compounds

N-tert-butyl-6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-amine
CID 21003434
2-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]-2-methylpropan-1-ol
CID 110433067
N-benzyl-6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-amine
CID 21003392
4-[[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]methyl]benzoic acid
CID 21003534
N-[3,5-bis(trifluoromethyl)phenyl]-6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-amine
CID 21003443
N-cyclohexyl-6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-amine
CID 21003381
2-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]pentanoic acid
CID 21003476
4-chloro-6,7-dimethoxy-2-(trifluoromethyl)quinazoline
CID 22693550
methyl 2-[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetate
CID 21003552
6,7-dimethoxy-N-(4-pyrrolidin-1-ylbutyl)-2-(trifluoromethyl)quinazolin-4-amine
CID 21003457
2-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]-3-phenylpropanoic acid
CID 21003485
6,7-dimethoxy-N-[4-(pyridin-4-ylmethyl)phenyl]-2-(trifluoromethyl)quinazolin-4-amine
CID 21003498

Frequently Asked Questions

What is the IUPAC name of 2-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]-2-methylpropan-1-ol?
The IUPAC name of 2-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]-2-methylpropan-1-ol (CID 110433148) is 2-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]-2-methylpropan-1-ol is COc1cc2nc(C(F)(F)F)nc(NC(C)(C)CO)c2cc1OC.
What is the InChIKey of 2-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]-2-methylpropan-1-ol?
The InChIKey is RMTNZBRQWCRKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3O3/c1-14(2,7-22)21-12-8-5-10(23-3)11(24-4)6-9(8)19-13(20-12)15(16,17)18/h5-6,22H,7H2,1-4H3,(H,19,20,21).
What are the key properties of 2-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]-2-methylpropan-1-ol?
2-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]-2-methylpropan-1-ol has a molecular weight of 345.32 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]-2-methylpropan-1-ol is sourced from PubChem (CID 110433148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).