6-fluoro-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]quinazolin-4-amine

C18H17F2N3O2 — CID 146131899

IUPAC6-fluoro-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]quinazolin-4-amine
SMILESCOc1cc(F)c(C(C)Nc2ncnc3ccc(F)cc23)cc1OC
InChIInChI=1S/C18H17F2N3O2/c1-10(12-7-16(24-2)17(25-3)8-14(12)20)23-18-13-6-11(19)4-5-15(13)21-9-22-18/h4-10H,1-3H3,(H,21,22,23)
InChIKeyMLLMOIZUGOVVPW-UHFFFAOYSA-N
MW345.35 g/mol
LogP4.10
Rot. Bonds5

About 6-fluoro-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]quinazolin-4-amine

6-fluoro-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]quinazolin-4-amine (PubChem CID 146131899) has the molecular formula C18H17F2N3O2 and a molecular weight of 345.35 g/mol. Its IUPAC name is 6-fluoro-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]quinazolin-4-amine.

Molecular Properties

Compound Name6-fluoro-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]quinazolin-4-amine
PubChem CID146131899
Molecular FormulaC18H17F2N3O2
Molecular Weight345.35 g/mol
Exact Mass345.13
IUPAC Name6-fluoro-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]quinazolin-4-amine
SMILESCOc1cc(F)c(C(C)Nc2ncnc3ccc(F)cc23)cc1OC
InChIInChI=1S/C18H17F2N3O2/c1-10(12-7-16(24-2)17(25-3)8-14(12)20)23-18-13-6-11(19)4-5-15(13)21-9-22-18/h4-10H,1-3H3,(H,21,22,23)
InChIKeyMLLMOIZUGOVVPW-UHFFFAOYSA-N
XLogP4.10
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-fluoro-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]quinazolin-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

Related Compounds

6-fluoro-N-propan-2-ylquinazolin-4-amine
CID 71684168
(2S)-2-[(6-fluoroquinazolin-4-yl)amino]propan-1-ol
CID 133428083
4-[1-(4-fluorophenyl)ethylamino]-7-methoxyquinazolin-6-ol
CID 66755493
3-[(1R)-1-[(6-fluoroquinazolin-4-yl)amino]ethyl]benzonitrile
CID 99812367
N-[(1S)-1-(5-chloro-2-pyridinyl)ethyl]-7-fluoro-6-methoxyquinazolin-4-amine
CID 99802726
N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]-4-methylpyrimidin-2-amine
CID 133304370
6-bromo-N-[1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]quinazolin-4-amine
CID 175538476
N-[(1S)-1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-6-fluoroquinazolin-4-amine
CID 167820856
ethyl 4-[(6-fluoroquinazolin-4-yl)amino]pentanoate
CID 133407132
(2R)-1-[(6-fluoroquinazolin-4-yl)amino]-3-methoxypropan-2-ol
CID 95771271
(2,4-difluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine
CID 62867795
7-methoxy-4-N-(1-phenylethyl)quinazoline-4,6-diamine
CID 22269913

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]quinazolin-4-amine?
The IUPAC name of 6-fluoro-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]quinazolin-4-amine (CID 146131899) is 6-fluoro-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]quinazolin-4-amine.
What is the SMILES notation for 6-fluoro-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]quinazolin-4-amine?
The canonical SMILES for 6-fluoro-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]quinazolin-4-amine is COc1cc(F)c(C(C)Nc2ncnc3ccc(F)cc23)cc1OC.
What is the InChIKey of 6-fluoro-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]quinazolin-4-amine?
The InChIKey is MLLMOIZUGOVVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N3O2/c1-10(12-7-16(24-2)17(25-3)8-14(12)20)23-18-13-6-11(19)4-5-15(13)21-9-22-18/h4-10H,1-3H3,(H,21,22,23).
What are the key properties of 6-fluoro-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]quinazolin-4-amine?
6-fluoro-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]quinazolin-4-amine has a molecular weight of 345.35 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]quinazolin-4-amine is sourced from PubChem (CID 146131899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).