4-fluoro-5-[[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]amino]-2-methylphenol

C23H27FN4O3 — CID 5329044

IUPAC4-fluoro-5-[[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]amino]-2-methylphenol
SMILESCOc1cc2c(Nc3cc(O)c(C)cc3F)ncnc2cc1OCC1CCN(C)CC1
InChIInChI=1S/C23H27FN4O3/c1-14-8-17(24)19(10-20(14)29)27-23-16-9-21(30-3)22(11-18(16)25-13-26-23)31-12-15-4-6-28(2)7-5-15/h8-11,13,15,29H,4-7,12H2,1-3H3,(H,25,26,27)
InChIKeySIABKVPDKZOJCK-UHFFFAOYSA-N
MW426.49 g/mol
LogP4.26
Rot. Bonds6

About 4-fluoro-5-[[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]amino]-2-methylphenol

4-fluoro-5-[[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]amino]-2-methylphenol (PubChem CID 5329044) has the molecular formula C23H27FN4O3 and a molecular weight of 426.49 g/mol. Its IUPAC name is 4-fluoro-5-[[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]amino]-2-methylphenol.

Molecular Properties

Compound Name4-fluoro-5-[[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]amino]-2-methylphenol
PubChem CID5329044
Molecular FormulaC23H27FN4O3
Molecular Weight426.49 g/mol
Exact Mass426.21
IUPAC Name4-fluoro-5-[[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]amino]-2-methylphenol
SMILESCOc1cc2c(Nc3cc(O)c(C)cc3F)ncnc2cc1OCC1CCN(C)CC1
InChIInChI=1S/C23H27FN4O3/c1-14-8-17(24)19(10-20(14)29)27-23-16-9-21(30-3)22(11-18(16)25-13-26-23)31-12-15-4-6-28(2)7-5-15/h8-11,13,15,29H,4-7,12H2,1-3H3,(H,25,26,27)
InChIKeySIABKVPDKZOJCK-UHFFFAOYSA-N
XLogP4.26
TPSA79.74 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.49
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-[[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]amino]-2-methylphenol?
The IUPAC name of 4-fluoro-5-[[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]amino]-2-methylphenol (CID 5329044) is 4-fluoro-5-[[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]amino]-2-methylphenol.
What is the SMILES notation for 4-fluoro-5-[[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]amino]-2-methylphenol?
The canonical SMILES for 4-fluoro-5-[[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]amino]-2-methylphenol is COc1cc2c(Nc3cc(O)c(C)cc3F)ncnc2cc1OCC1CCN(C)CC1.
What is the InChIKey of 4-fluoro-5-[[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]amino]-2-methylphenol?
The InChIKey is SIABKVPDKZOJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O3/c1-14-8-17(24)19(10-20(14)29)27-23-16-9-21(30-3)22(11-18(16)25-13-26-23)31-12-15-4-6-28(2)7-5-15/h8-11,13,15,29H,4-7,12H2,1-3H3,(H,25,26,27).
What are the key properties of 4-fluoro-5-[[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]amino]-2-methylphenol?
4-fluoro-5-[[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]amino]-2-methylphenol has a molecular weight of 426.49 g/mol, XLogP of 4.26, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-[[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]amino]-2-methylphenol is sourced from PubChem (CID 5329044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).