7-fluoro-6-methoxy-N-methyl-N-(2-phenoxyethyl)quinazolin-4-amine

C18H18FN3O2 — CID 133475517

IUPAC7-fluoro-6-methoxy-N-methyl-N-(2-phenoxyethyl)quinazolin-4-amine
SMILESCOc1cc2c(N(C)CCOc3ccccc3)ncnc2cc1F
InChIInChI=1S/C18H18FN3O2/c1-22(8-9-24-13-6-4-3-5-7-13)18-14-10-17(23-2)15(19)11-16(14)20-12-21-18/h3-7,10-12H,8-9H2,1-2H3
InChIKeyDZCLBAACVSQEES-UHFFFAOYSA-N
MW327.36 g/mol
LogP3.29
Rot. Bonds6

About 7-fluoro-6-methoxy-N-methyl-N-(2-phenoxyethyl)quinazolin-4-amine

7-fluoro-6-methoxy-N-methyl-N-(2-phenoxyethyl)quinazolin-4-amine (PubChem CID 133475517) has the molecular formula C18H18FN3O2 and a molecular weight of 327.36 g/mol. Its IUPAC name is 7-fluoro-6-methoxy-N-methyl-N-(2-phenoxyethyl)quinazolin-4-amine.

Molecular Properties

Compound Name7-fluoro-6-methoxy-N-methyl-N-(2-phenoxyethyl)quinazolin-4-amine
PubChem CID133475517
Molecular FormulaC18H18FN3O2
Molecular Weight327.36 g/mol
Exact Mass327.14
IUPAC Name7-fluoro-6-methoxy-N-methyl-N-(2-phenoxyethyl)quinazolin-4-amine
SMILESCOc1cc2c(N(C)CCOc3ccccc3)ncnc2cc1F
InChIInChI=1S/C18H18FN3O2/c1-22(8-9-24-13-6-4-3-5-7-13)18-14-10-17(23-2)15(19)11-16(14)20-12-21-18/h3-7,10-12H,8-9H2,1-2H3
InChIKeyDZCLBAACVSQEES-UHFFFAOYSA-N
XLogP3.29
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-methoxy-N-methyl-N-(2-phenoxyethyl)quinazolin-4-amine?
The IUPAC name of 7-fluoro-6-methoxy-N-methyl-N-(2-phenoxyethyl)quinazolin-4-amine (CID 133475517) is 7-fluoro-6-methoxy-N-methyl-N-(2-phenoxyethyl)quinazolin-4-amine.
What is the SMILES notation for 7-fluoro-6-methoxy-N-methyl-N-(2-phenoxyethyl)quinazolin-4-amine?
The canonical SMILES for 7-fluoro-6-methoxy-N-methyl-N-(2-phenoxyethyl)quinazolin-4-amine is COc1cc2c(N(C)CCOc3ccccc3)ncnc2cc1F.
What is the InChIKey of 7-fluoro-6-methoxy-N-methyl-N-(2-phenoxyethyl)quinazolin-4-amine?
The InChIKey is DZCLBAACVSQEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2/c1-22(8-9-24-13-6-4-3-5-7-13)18-14-10-17(23-2)15(19)11-16(14)20-12-21-18/h3-7,10-12H,8-9H2,1-2H3.
What are the key properties of 7-fluoro-6-methoxy-N-methyl-N-(2-phenoxyethyl)quinazolin-4-amine?
7-fluoro-6-methoxy-N-methyl-N-(2-phenoxyethyl)quinazolin-4-amine has a molecular weight of 327.36 g/mol, XLogP of 3.29, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-6-methoxy-N-methyl-N-(2-phenoxyethyl)quinazolin-4-amine is sourced from PubChem (CID 133475517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).