7,8-dimethoxy-N-(3-methoxypropyl)-2-(trifluoromethyl)quinazolin-4-amine

C15H18F3N3O3 — CID 110431469

IUPAC7,8-dimethoxy-N-(3-methoxypropyl)-2-(trifluoromethyl)quinazolin-4-amine
SMILESCOCCCNc1nc(C(F)(F)F)nc2c(OC)c(OC)ccc12
InChIInChI=1S/C15H18F3N3O3/c1-22-8-4-7-19-13-9-5-6-10(23-2)12(24-3)11(9)20-14(21-13)15(16,17)18/h5-6H,4,7-8H2,1-3H3,(H,19,20,21)
InChIKeyCHMUHPUSPDJDJH-UHFFFAOYSA-N
MW345.32 g/mol
LogP3.11
Rot. Bonds7

About 7,8-dimethoxy-N-(3-methoxypropyl)-2-(trifluoromethyl)quinazolin-4-amine

7,8-dimethoxy-N-(3-methoxypropyl)-2-(trifluoromethyl)quinazolin-4-amine (PubChem CID 110431469) has the molecular formula C15H18F3N3O3 and a molecular weight of 345.32 g/mol. Its IUPAC name is 7,8-dimethoxy-N-(3-methoxypropyl)-2-(trifluoromethyl)quinazolin-4-amine.

Molecular Properties

Compound Name7,8-dimethoxy-N-(3-methoxypropyl)-2-(trifluoromethyl)quinazolin-4-amine
PubChem CID110431469
Molecular FormulaC15H18F3N3O3
Molecular Weight345.32 g/mol
Exact Mass345.13
IUPAC Name7,8-dimethoxy-N-(3-methoxypropyl)-2-(trifluoromethyl)quinazolin-4-amine
SMILESCOCCCNc1nc(C(F)(F)F)nc2c(OC)c(OC)ccc12
InChIInChI=1S/C15H18F3N3O3/c1-22-8-4-7-19-13-9-5-6-10(23-2)12(24-3)11(9)20-14(21-13)15(16,17)18/h5-6H,4,7-8H2,1-3H3,(H,19,20,21)
InChIKeyCHMUHPUSPDJDJH-UHFFFAOYSA-N
XLogP3.11
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.32
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

8-fluoro-N-(2-methoxyethyl)-2-(trifluoromethyl)quinazolin-4-amine
CID 110431775
N-butyl-7-methoxy-2-(trifluoromethyl)quinazolin-4-amine
CID 110431380
8-fluoro-N-hexyl-2-(trifluoromethyl)quinazolin-4-amine
CID 110431796
6-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]hexanoic acid
CID 21003748
7-methoxy-N-(2-phenylethyl)-2-(trifluoromethyl)quinazolin-4-amine
CID 21003694
2-N-(5-chloro-2-methoxyphenyl)-4-N-(3-methoxypropyl)quinazoline-2,4-diamine
CID 91963458
2-N-(2-methoxyphenyl)-4-N-(3-methoxypropyl)quinazoline-2,4-diamine
CID 91963224
6,7-dimethoxy-N-(4-pyrrolidin-1-ylbutyl)-2-(trifluoromethyl)quinazolin-4-amine
CID 21003457
N-[2-(4-fluorophenyl)ethyl]-7,8-dimethoxyquinazolin-4-amine
CID 110431423
2-chloro-N-(3-methoxypropyl)quinazolin-4-amine
CID 22692600
4-methoxy-N-(3-methoxypropyl)aniline
CID 60925973
7-methoxy-N-[(4-methylphenyl)methyl]-2-(trifluoromethyl)quinazolin-4-amine
CID 110431386

Frequently Asked Questions

What is the IUPAC name of 7,8-dimethoxy-N-(3-methoxypropyl)-2-(trifluoromethyl)quinazolin-4-amine?
The IUPAC name of 7,8-dimethoxy-N-(3-methoxypropyl)-2-(trifluoromethyl)quinazolin-4-amine (CID 110431469) is 7,8-dimethoxy-N-(3-methoxypropyl)-2-(trifluoromethyl)quinazolin-4-amine.
What is the SMILES notation for 7,8-dimethoxy-N-(3-methoxypropyl)-2-(trifluoromethyl)quinazolin-4-amine?
The canonical SMILES for 7,8-dimethoxy-N-(3-methoxypropyl)-2-(trifluoromethyl)quinazolin-4-amine is COCCCNc1nc(C(F)(F)F)nc2c(OC)c(OC)ccc12.
What is the InChIKey of 7,8-dimethoxy-N-(3-methoxypropyl)-2-(trifluoromethyl)quinazolin-4-amine?
The InChIKey is CHMUHPUSPDJDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3O3/c1-22-8-4-7-19-13-9-5-6-10(23-2)12(24-3)11(9)20-14(21-13)15(16,17)18/h5-6H,4,7-8H2,1-3H3,(H,19,20,21).
What are the key properties of 7,8-dimethoxy-N-(3-methoxypropyl)-2-(trifluoromethyl)quinazolin-4-amine?
7,8-dimethoxy-N-(3-methoxypropyl)-2-(trifluoromethyl)quinazolin-4-amine has a molecular weight of 345.32 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethoxy-N-(3-methoxypropyl)-2-(trifluoromethyl)quinazolin-4-amine is sourced from PubChem (CID 110431469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).