4-fluoro-2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide

C21H16FN5O2 — CID 71180076

IUPAC4-fluoro-2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide
SMILESCOc1ccc2nc(-c3cccnc3)nc(Nc3cc(F)ccc3C(N)=O)c2c1
InChIInChI=1S/C21H16FN5O2/c1-29-14-5-7-17-16(10-14)21(27-20(25-17)12-3-2-8-24-11-12)26-18-9-13(22)4-6-15(18)19(23)28/h2-11H,1H3,(H2,23,28)(H,25,26,27)
InChIKeyINJRWRCQEMUWNQ-UHFFFAOYSA-N
MW389.39 g/mol
LogP3.68
Rot. Bonds5

About 4-fluoro-2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide

4-fluoro-2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide (PubChem CID 71180076) has the molecular formula C21H16FN5O2 and a molecular weight of 389.39 g/mol. Its IUPAC name is 4-fluoro-2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide.

Molecular Properties

Compound Name4-fluoro-2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide
PubChem CID71180076
Molecular FormulaC21H16FN5O2
Molecular Weight389.39 g/mol
Exact Mass389.13
IUPAC Name4-fluoro-2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide
SMILESCOc1ccc2nc(-c3cccnc3)nc(Nc3cc(F)ccc3C(N)=O)c2c1
InChIInChI=1S/C21H16FN5O2/c1-29-14-5-7-17-16(10-14)21(27-20(25-17)12-3-2-8-24-11-12)26-18-9-13(22)4-6-15(18)19(23)28/h2-11H,1H3,(H2,23,28)(H,25,26,27)
InChIKeyINJRWRCQEMUWNQ-UHFFFAOYSA-N
XLogP3.68
TPSA103.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.39
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide?
The IUPAC name of 4-fluoro-2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide (CID 71180076) is 4-fluoro-2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide.
What is the SMILES notation for 4-fluoro-2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide?
The canonical SMILES for 4-fluoro-2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide is COc1ccc2nc(-c3cccnc3)nc(Nc3cc(F)ccc3C(N)=O)c2c1.
What is the InChIKey of 4-fluoro-2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide?
The InChIKey is INJRWRCQEMUWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN5O2/c1-29-14-5-7-17-16(10-14)21(27-20(25-17)12-3-2-8-24-11-12)26-18-9-13(22)4-6-15(18)19(23)28/h2-11H,1H3,(H2,23,28)(H,25,26,27).
What are the key properties of 4-fluoro-2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide?
4-fluoro-2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide has a molecular weight of 389.39 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide is sourced from PubChem (CID 71180076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).