6-fluoro-N-[2-(2-methoxyphenyl)ethyl]-N-methylquinazolin-4-amine

C18H18FN3O — CID 133300967

IUPAC6-fluoro-N-[2-(2-methoxyphenyl)ethyl]-N-methylquinazolin-4-amine
SMILESCOc1ccccc1CCN(C)c1ncnc2ccc(F)cc12
InChIInChI=1S/C18H18FN3O/c1-22(10-9-13-5-3-4-6-17(13)23-2)18-15-11-14(19)7-8-16(15)20-12-21-18/h3-8,11-12H,9-10H2,1-2H3
InChIKeyODDPCRNOJQAFJQ-UHFFFAOYSA-N
MW311.36 g/mol
LogP3.46
Rot. Bonds5

About 6-fluoro-N-[2-(2-methoxyphenyl)ethyl]-N-methylquinazolin-4-amine

6-fluoro-N-[2-(2-methoxyphenyl)ethyl]-N-methylquinazolin-4-amine (PubChem CID 133300967) has the molecular formula C18H18FN3O and a molecular weight of 311.36 g/mol. Its IUPAC name is 6-fluoro-N-[2-(2-methoxyphenyl)ethyl]-N-methylquinazolin-4-amine.

Molecular Properties

Compound Name6-fluoro-N-[2-(2-methoxyphenyl)ethyl]-N-methylquinazolin-4-amine
PubChem CID133300967
Molecular FormulaC18H18FN3O
Molecular Weight311.36 g/mol
Exact Mass311.14
IUPAC Name6-fluoro-N-[2-(2-methoxyphenyl)ethyl]-N-methylquinazolin-4-amine
SMILESCOc1ccccc1CCN(C)c1ncnc2ccc(F)cc12
InChIInChI=1S/C18H18FN3O/c1-22(10-9-13-5-3-4-6-17(13)23-2)18-15-11-14(19)7-8-16(15)20-12-21-18/h3-8,11-12H,9-10H2,1-2H3
InChIKeyODDPCRNOJQAFJQ-UHFFFAOYSA-N
XLogP3.46
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)quinazolin-4-amine
CID 112507739
6-fluoro-N-[2-(4-fluorophenoxy)ethyl]-N-methylquinazolin-4-amine
CID 78901493
N-(2-cyclopropylethyl)-6-fluoro-N-methylquinazolin-4-amine
CID 133398560
7-fluoro-6-methoxy-N-methyl-N-(2-phenoxyethyl)quinazolin-4-amine
CID 133475517
6-fluoro-N-methyl-N-(pyridin-4-ylmethyl)quinazolin-4-amine
CID 171691676
N-[2-(4-methoxyphenyl)ethyl]-N-methylquinazolin-4-amine
CID 163348860
N-butyl-6-methoxy-N-methylquinazolin-4-amine
CID 21002840
6-fluoro-N-(3-iodophenyl)-N-methylquinazolin-4-amine
CID 175809045
2-chloro-N-[2-(2-methoxyphenyl)ethyl]-N-methylpyridin-4-amine
CID 133378986
N-[(5-bromothiophen-2-yl)methyl]-6-fluoro-N-methylquinazolin-4-amine
CID 78901234
1-[4-[2-[(6,7-dimethoxyquinazolin-4-yl)-methylamino]ethyl]phenyl]-3-phenylurea
CID 59268644
4-[2-[methyl(quinazolin-4-yl)amino]ethyl]benzene-1,2-diol
CID 56840778

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[2-(2-methoxyphenyl)ethyl]-N-methylquinazolin-4-amine?
The IUPAC name of 6-fluoro-N-[2-(2-methoxyphenyl)ethyl]-N-methylquinazolin-4-amine (CID 133300967) is 6-fluoro-N-[2-(2-methoxyphenyl)ethyl]-N-methylquinazolin-4-amine.
What is the SMILES notation for 6-fluoro-N-[2-(2-methoxyphenyl)ethyl]-N-methylquinazolin-4-amine?
The canonical SMILES for 6-fluoro-N-[2-(2-methoxyphenyl)ethyl]-N-methylquinazolin-4-amine is COc1ccccc1CCN(C)c1ncnc2ccc(F)cc12.
What is the InChIKey of 6-fluoro-N-[2-(2-methoxyphenyl)ethyl]-N-methylquinazolin-4-amine?
The InChIKey is ODDPCRNOJQAFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O/c1-22(10-9-13-5-3-4-6-17(13)23-2)18-15-11-14(19)7-8-16(15)20-12-21-18/h3-8,11-12H,9-10H2,1-2H3.
What are the key properties of 6-fluoro-N-[2-(2-methoxyphenyl)ethyl]-N-methylquinazolin-4-amine?
6-fluoro-N-[2-(2-methoxyphenyl)ethyl]-N-methylquinazolin-4-amine has a molecular weight of 311.36 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[2-(2-methoxyphenyl)ethyl]-N-methylquinazolin-4-amine is sourced from PubChem (CID 133300967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).