4-N-[2-fluoro-5-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazoline-4,6-diamine

C21H18FN5O — CID 162431522

IUPAC4-N-[2-fluoro-5-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazoline-4,6-diamine
SMILESCc1ccc(Oc2cc(F)c(Nc3ncnc4ccc(N)cc34)cc2C)cn1
InChIInChI=1S/C21H18FN5O/c1-12-7-19(17(22)9-20(12)28-15-5-3-13(2)24-10-15)27-21-16-8-14(23)4-6-18(16)25-11-26-21/h3-11H,23H2,1-2H3,(H,25,26,27)
InChIKeyWVNJDYMZESBPMM-UHFFFAOYSA-N
MW375.41 g/mol
LogP4.90
Rot. Bonds4

About 4-N-[2-fluoro-5-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazoline-4,6-diamine

4-N-[2-fluoro-5-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazoline-4,6-diamine (PubChem CID 162431522) has the molecular formula C21H18FN5O and a molecular weight of 375.41 g/mol. Its IUPAC name is 4-N-[2-fluoro-5-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazoline-4,6-diamine.

Molecular Properties

Compound Name4-N-[2-fluoro-5-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazoline-4,6-diamine
PubChem CID162431522
Molecular FormulaC21H18FN5O
Molecular Weight375.41 g/mol
Exact Mass375.15
IUPAC Name4-N-[2-fluoro-5-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazoline-4,6-diamine
SMILESCc1ccc(Oc2cc(F)c(Nc3ncnc4ccc(N)cc34)cc2C)cn1
InChIInChI=1S/C21H18FN5O/c1-12-7-19(17(22)9-20(12)28-15-5-3-13(2)24-10-15)27-21-16-8-14(23)4-6-18(16)25-11-26-21/h3-11H,23H2,1-2H3,(H,25,26,27)
InChIKeyWVNJDYMZESBPMM-UHFFFAOYSA-N
XLogP4.90
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-N-[2-fluoro-5-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazoline-4,6-diamine 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

N-[2-fluoro-5-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-nitroquinazolin-4-amine
CID 162431691
6-iodo-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine;hydrochloride
CID 66623307
6-[(E)-3-aminoprop-1-enyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine
CID 22484234
4-N-(2-fluorophenyl)quinazoline-4,6-diamine
CID 11379777
2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]propanamide
CID 69461106
6-N-(4,5-dihydro-1,3-oxazol-2-yl)-4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazoline-4,6-diamine;ethane;methanol
CID 143005182
4-N-(4-fluorophenyl)quinazoline-4,6-diamine
CID 64590257
6-[(6-methyl-3-pyridinyl)oxy]-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine
CID 58140156
3-methylidene-1-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]pyrrolidin-2-one
CID 164561561
N-[2-fluoro-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-nitroquinazolin-4-amine
CID 162431830
4-N-(3-fluoro-5-methylphenyl)quinazoline-4,6-diamine
CID 79048465
N-[4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-nitroquinazolin-4-amine
CID 162431934

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-fluoro-5-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazoline-4,6-diamine?
The IUPAC name of 4-N-[2-fluoro-5-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazoline-4,6-diamine (CID 162431522) is 4-N-[2-fluoro-5-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazoline-4,6-diamine.
What is the SMILES notation for 4-N-[2-fluoro-5-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazoline-4,6-diamine?
The canonical SMILES for 4-N-[2-fluoro-5-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazoline-4,6-diamine is Cc1ccc(Oc2cc(F)c(Nc3ncnc4ccc(N)cc34)cc2C)cn1.
What is the InChIKey of 4-N-[2-fluoro-5-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazoline-4,6-diamine?
The InChIKey is WVNJDYMZESBPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O/c1-12-7-19(17(22)9-20(12)28-15-5-3-13(2)24-10-15)27-21-16-8-14(23)4-6-18(16)25-11-26-21/h3-11H,23H2,1-2H3,(H,25,26,27).
What are the key properties of 4-N-[2-fluoro-5-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazoline-4,6-diamine?
4-N-[2-fluoro-5-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazoline-4,6-diamine has a molecular weight of 375.41 g/mol, XLogP of 4.90, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-fluoro-5-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazoline-4,6-diamine is sourced from PubChem (CID 162431522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).