6-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]pyridin-3-ol

C26H18ClFN4O2 — CID 118753051

IUPAC6-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]pyridin-3-ol
SMILESOc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)nc1
InChIInChI=1S/C26H18ClFN4O2/c27-22-12-19(5-9-25(22)34-14-16-2-1-3-18(28)10-16)32-26-21-11-17(4-7-24(21)30-15-31-26)23-8-6-20(33)13-29-23/h1-13,15,33H,14H2,(H,30,31,32)
InChIKeyAENNIWWWBBALCX-UHFFFAOYSA-N
MW472.91 g/mol
LogP6.51
Rot. Bonds6

About 6-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]pyridin-3-ol

6-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]pyridin-3-ol (PubChem CID 118753051) has the molecular formula C26H18ClFN4O2 and a molecular weight of 472.91 g/mol. Its IUPAC name is 6-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]pyridin-3-ol.

Molecular Properties

Compound Name6-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]pyridin-3-ol
PubChem CID118753051
Molecular FormulaC26H18ClFN4O2
Molecular Weight472.91 g/mol
Exact Mass472.11
IUPAC Name6-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]pyridin-3-ol
SMILESOc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)nc1
InChIInChI=1S/C26H18ClFN4O2/c27-22-12-19(5-9-25(22)34-14-16-2-1-3-18(28)10-16)32-26-21-11-17(4-7-24(21)30-15-31-26)23-8-6-20(33)13-29-23/h1-13,15,33H,14H2,(H,30,31,32)
InChIKeyAENNIWWWBBALCX-UHFFFAOYSA-N
XLogP6.51
TPSA80.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.91
LogP ≤ 56.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]pyridin-3-ol?
The IUPAC name of 6-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]pyridin-3-ol (CID 118753051) is 6-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]pyridin-3-ol.
What is the SMILES notation for 6-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]pyridin-3-ol?
The canonical SMILES for 6-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]pyridin-3-ol is Oc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)nc1.
What is the InChIKey of 6-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]pyridin-3-ol?
The InChIKey is AENNIWWWBBALCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18ClFN4O2/c27-22-12-19(5-9-25(22)34-14-16-2-1-3-18(28)10-16)32-26-21-11-17(4-7-24(21)30-15-31-26)23-8-6-20(33)13-29-23/h1-13,15,33H,14H2,(H,30,31,32).
What are the key properties of 6-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]pyridin-3-ol?
6-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]pyridin-3-ol has a molecular weight of 472.91 g/mol, XLogP of 6.51, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]pyridin-3-ol is sourced from PubChem (CID 118753051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).