4-fluoro-3-[[6-methoxy-7-(pyridin-3-ylmethoxy)quinazolin-4-yl]amino]-2-methylphenol

C22H19FN4O3 — CID 118112115

IUPAC4-fluoro-3-[[6-methoxy-7-(pyridin-3-ylmethoxy)quinazolin-4-yl]amino]-2-methylphenol
SMILESCOc1cc2c(Nc3c(F)ccc(O)c3C)ncnc2cc1OCc1cccnc1
InChIInChI=1S/C22H19FN4O3/c1-13-18(28)6-5-16(23)21(13)27-22-15-8-19(29-2)20(9-17(15)25-12-26-22)30-11-14-4-3-7-24-10-14/h3-10,12,28H,11H2,1-2H3,(H,25,26,27)
InChIKeyMDRBDKPJHLBNHX-UHFFFAOYSA-N
MW406.42 g/mol
LogP4.51
Rot. Bonds6

About 4-fluoro-3-[[6-methoxy-7-(pyridin-3-ylmethoxy)quinazolin-4-yl]amino]-2-methylphenol

4-fluoro-3-[[6-methoxy-7-(pyridin-3-ylmethoxy)quinazolin-4-yl]amino]-2-methylphenol (PubChem CID 118112115) has the molecular formula C22H19FN4O3 and a molecular weight of 406.42 g/mol. Its IUPAC name is 4-fluoro-3-[[6-methoxy-7-(pyridin-3-ylmethoxy)quinazolin-4-yl]amino]-2-methylphenol.

Molecular Properties

Compound Name4-fluoro-3-[[6-methoxy-7-(pyridin-3-ylmethoxy)quinazolin-4-yl]amino]-2-methylphenol
PubChem CID118112115
Molecular FormulaC22H19FN4O3
Molecular Weight406.42 g/mol
Exact Mass406.14
IUPAC Name4-fluoro-3-[[6-methoxy-7-(pyridin-3-ylmethoxy)quinazolin-4-yl]amino]-2-methylphenol
SMILESCOc1cc2c(Nc3c(F)ccc(O)c3C)ncnc2cc1OCc1cccnc1
InChIInChI=1S/C22H19FN4O3/c1-13-18(28)6-5-16(23)21(13)27-22-15-8-19(29-2)20(9-17(15)25-12-26-22)30-11-14-4-3-7-24-10-14/h3-10,12,28H,11H2,1-2H3,(H,25,26,27)
InChIKeyMDRBDKPJHLBNHX-UHFFFAOYSA-N
XLogP4.51
TPSA89.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.42
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-fluoro-3-[[6-methoxy-7-(pyridin-3-ylmethoxy)quinazolin-4-yl]amino]-2-methylphenol 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

Erlotinib
CID 176870
Vandetanib
CID 3081361
Gefitinib
CID 123631
Cediranib
CID 9933475
Erlotinib Hydrochloride
CID 176871
Sapitinib
CID 11488320
Tandutinib
CID 3038522
Icotinib
CID 22024915
Taprizosin
CID 6433102
4-(3-Bromoanilino)-6,7-diethoxyquinazoline
CID 2857
6,7-dimethoxy-N-phenylquinazolin-4-amine
CID 3798
N-(3-Iodophyenyl)-6,7-dimethoxyoxy-4-quinazolina
CID 5328201

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[[6-methoxy-7-(pyridin-3-ylmethoxy)quinazolin-4-yl]amino]-2-methylphenol?
The IUPAC name of 4-fluoro-3-[[6-methoxy-7-(pyridin-3-ylmethoxy)quinazolin-4-yl]amino]-2-methylphenol (CID 118112115) is 4-fluoro-3-[[6-methoxy-7-(pyridin-3-ylmethoxy)quinazolin-4-yl]amino]-2-methylphenol.
What is the SMILES notation for 4-fluoro-3-[[6-methoxy-7-(pyridin-3-ylmethoxy)quinazolin-4-yl]amino]-2-methylphenol?
The canonical SMILES for 4-fluoro-3-[[6-methoxy-7-(pyridin-3-ylmethoxy)quinazolin-4-yl]amino]-2-methylphenol is COc1cc2c(Nc3c(F)ccc(O)c3C)ncnc2cc1OCc1cccnc1.
What is the InChIKey of 4-fluoro-3-[[6-methoxy-7-(pyridin-3-ylmethoxy)quinazolin-4-yl]amino]-2-methylphenol?
The InChIKey is MDRBDKPJHLBNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O3/c1-13-18(28)6-5-16(23)21(13)27-22-15-8-19(29-2)20(9-17(15)25-12-26-22)30-11-14-4-3-7-24-10-14/h3-10,12,28H,11H2,1-2H3,(H,25,26,27).
What are the key properties of 4-fluoro-3-[[6-methoxy-7-(pyridin-3-ylmethoxy)quinazolin-4-yl]amino]-2-methylphenol?
4-fluoro-3-[[6-methoxy-7-(pyridin-3-ylmethoxy)quinazolin-4-yl]amino]-2-methylphenol has a molecular weight of 406.42 g/mol, XLogP of 4.51, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[[6-methoxy-7-(pyridin-3-ylmethoxy)quinazolin-4-yl]amino]-2-methylphenol is sourced from PubChem (CID 118112115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).