8-fluoro-N,N-bis(2-methoxyethyl)-2-(trifluoromethyl)quinazolin-4-amine

C15H17F4N3O2 — CID 110433571

IUPAC8-fluoro-N,N-bis(2-methoxyethyl)-2-(trifluoromethyl)quinazolin-4-amine
SMILESCOCCN(CCOC)c1nc(C(F)(F)F)nc2c(F)cccc12
InChIInChI=1S/C15H17F4N3O2/c1-23-8-6-22(7-9-24-2)13-10-4-3-5-11(16)12(10)20-14(21-13)15(17,18)19/h3-5H,6-9H2,1-2H3
InChIKeyGNRDRAOXJGZIJX-UHFFFAOYSA-N
MW347.31 g/mol
LogP2.89
Rot. Bonds7

About 8-fluoro-N,N-bis(2-methoxyethyl)-2-(trifluoromethyl)quinazolin-4-amine

8-fluoro-N,N-bis(2-methoxyethyl)-2-(trifluoromethyl)quinazolin-4-amine (PubChem CID 110433571) has the molecular formula C15H17F4N3O2 and a molecular weight of 347.31 g/mol. Its IUPAC name is 8-fluoro-N,N-bis(2-methoxyethyl)-2-(trifluoromethyl)quinazolin-4-amine.

Molecular Properties

Compound Name8-fluoro-N,N-bis(2-methoxyethyl)-2-(trifluoromethyl)quinazolin-4-amine
PubChem CID110433571
Molecular FormulaC15H17F4N3O2
Molecular Weight347.31 g/mol
Exact Mass347.13
IUPAC Name8-fluoro-N,N-bis(2-methoxyethyl)-2-(trifluoromethyl)quinazolin-4-amine
SMILESCOCCN(CCOC)c1nc(C(F)(F)F)nc2c(F)cccc12
InChIInChI=1S/C15H17F4N3O2/c1-23-8-6-22(7-9-24-2)13-10-4-3-5-11(16)12(10)20-14(21-13)15(17,18)19/h3-5H,6-9H2,1-2H3
InChIKeyGNRDRAOXJGZIJX-UHFFFAOYSA-N
XLogP2.89
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.31
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[8-fluoro-2-(trifluoromethyl)quinazolin-4-yl]-(2-hydroxyethyl)amino]ethanol
CID 110433572
8-fluoro-N-(2-methoxyethyl)-2-(trifluoromethyl)quinazolin-4-amine
CID 110431775
8-fluoro-N-hexyl-2-(trifluoromethyl)quinazolin-4-amine
CID 110431796
N-(2,4-difluorophenyl)-8-fluoro-2-(trifluoromethyl)quinazolin-4-amine
CID 110434764
3-[2-amino-3-fluoro-N-(2-methoxyethyl)anilino]propanenitrile
CID 63285622
2-fluoro-6-[2-methoxyethyl(3-methoxypropyl)amino]benzoic acid
CID 79511951
N,N-bis(2-methoxyethyl)quinazolin-4-amine
CID 21104388
2-amino-3-fluoro-N-(2-methoxyethyl)-N-methylbenzamide
CID 62661076
4-chloro-8-methoxy-2-(trifluoromethyl)quinazoline
CID 34176280
3-N,3-N-bis(2-methoxyethyl)quinoxaline-2,3-diamine
CID 102986130
N-[(8-fluoro-2-methylquinolin-4-yl)methyl]-2-methoxyethanamine
CID 82448807
4-(benzotriazol-1-yl)-8-fluoro-2-(trifluoromethyl)quinazoline
CID 110435831

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-N,N-bis(2-methoxyethyl)-2-(trifluoromethyl)quinazolin-4-amine?
The IUPAC name of 8-fluoro-N,N-bis(2-methoxyethyl)-2-(trifluoromethyl)quinazolin-4-amine (CID 110433571) is 8-fluoro-N,N-bis(2-methoxyethyl)-2-(trifluoromethyl)quinazolin-4-amine.
What is the SMILES notation for 8-fluoro-N,N-bis(2-methoxyethyl)-2-(trifluoromethyl)quinazolin-4-amine?
The canonical SMILES for 8-fluoro-N,N-bis(2-methoxyethyl)-2-(trifluoromethyl)quinazolin-4-amine is COCCN(CCOC)c1nc(C(F)(F)F)nc2c(F)cccc12.
What is the InChIKey of 8-fluoro-N,N-bis(2-methoxyethyl)-2-(trifluoromethyl)quinazolin-4-amine?
The InChIKey is GNRDRAOXJGZIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F4N3O2/c1-23-8-6-22(7-9-24-2)13-10-4-3-5-11(16)12(10)20-14(21-13)15(17,18)19/h3-5H,6-9H2,1-2H3.
What are the key properties of 8-fluoro-N,N-bis(2-methoxyethyl)-2-(trifluoromethyl)quinazolin-4-amine?
8-fluoro-N,N-bis(2-methoxyethyl)-2-(trifluoromethyl)quinazolin-4-amine has a molecular weight of 347.31 g/mol, XLogP of 2.89, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-N,N-bis(2-methoxyethyl)-2-(trifluoromethyl)quinazolin-4-amine is sourced from PubChem (CID 110433571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).