2-cyclopropyl-N-[1-(4-fluorophenyl)ethyl]-6,7-dimethoxyquinazolin-4-amine

C21H22FN3O2 — CID 169132977

IUPAC2-cyclopropyl-N-[1-(4-fluorophenyl)ethyl]-6,7-dimethoxyquinazolin-4-amine
SMILESCOc1cc2nc(C3CC3)nc(NC(C)c3ccc(F)cc3)c2cc1OC
InChIInChI=1S/C21H22FN3O2/c1-12(13-6-8-15(22)9-7-13)23-21-16-10-18(26-2)19(27-3)11-17(16)24-20(25-21)14-4-5-14/h6-12,14H,4-5H2,1-3H3,(H,23,24,25)
InChIKeyNGINMLZKVFNHQG-UHFFFAOYSA-N
MW367.42 g/mol
LogP4.84
Rot. Bonds6

About 2-cyclopropyl-N-[1-(4-fluorophenyl)ethyl]-6,7-dimethoxyquinazolin-4-amine

2-cyclopropyl-N-[1-(4-fluorophenyl)ethyl]-6,7-dimethoxyquinazolin-4-amine (PubChem CID 169132977) has the molecular formula C21H22FN3O2 and a molecular weight of 367.42 g/mol. Its IUPAC name is 2-cyclopropyl-N-[1-(4-fluorophenyl)ethyl]-6,7-dimethoxyquinazolin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-[1-(4-fluorophenyl)ethyl]-6,7-dimethoxyquinazolin-4-amine
PubChem CID169132977
Molecular FormulaC21H22FN3O2
Molecular Weight367.42 g/mol
Exact Mass367.17
IUPAC Name2-cyclopropyl-N-[1-(4-fluorophenyl)ethyl]-6,7-dimethoxyquinazolin-4-amine
SMILESCOc1cc2nc(C3CC3)nc(NC(C)c3ccc(F)cc3)c2cc1OC
InChIInChI=1S/C21H22FN3O2/c1-12(13-6-8-15(22)9-7-13)23-21-16-10-18(26-2)19(27-3)11-17(16)24-20(25-21)14-4-5-14/h6-12,14H,4-5H2,1-3H3,(H,23,24,25)
InChIKeyNGINMLZKVFNHQG-UHFFFAOYSA-N
XLogP4.84
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-cyclopropyl-N-[1-(4-fluorophenyl)ethyl]-6,7-dimethoxyquinazolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[1-(4-fluorophenyl)ethyl]-6,7-dimethoxyquinazolin-4-amine?
The IUPAC name of 2-cyclopropyl-N-[1-(4-fluorophenyl)ethyl]-6,7-dimethoxyquinazolin-4-amine (CID 169132977) is 2-cyclopropyl-N-[1-(4-fluorophenyl)ethyl]-6,7-dimethoxyquinazolin-4-amine.
What is the SMILES notation for 2-cyclopropyl-N-[1-(4-fluorophenyl)ethyl]-6,7-dimethoxyquinazolin-4-amine?
The canonical SMILES for 2-cyclopropyl-N-[1-(4-fluorophenyl)ethyl]-6,7-dimethoxyquinazolin-4-amine is COc1cc2nc(C3CC3)nc(NC(C)c3ccc(F)cc3)c2cc1OC.
What is the InChIKey of 2-cyclopropyl-N-[1-(4-fluorophenyl)ethyl]-6,7-dimethoxyquinazolin-4-amine?
The InChIKey is NGINMLZKVFNHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O2/c1-12(13-6-8-15(22)9-7-13)23-21-16-10-18(26-2)19(27-3)11-17(16)24-20(25-21)14-4-5-14/h6-12,14H,4-5H2,1-3H3,(H,23,24,25).
What are the key properties of 2-cyclopropyl-N-[1-(4-fluorophenyl)ethyl]-6,7-dimethoxyquinazolin-4-amine?
2-cyclopropyl-N-[1-(4-fluorophenyl)ethyl]-6,7-dimethoxyquinazolin-4-amine has a molecular weight of 367.42 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[1-(4-fluorophenyl)ethyl]-6,7-dimethoxyquinazolin-4-amine is sourced from PubChem (CID 169132977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).