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

C22H18FN5O2 — CID 71179826

IUPAC2-fluoro-6-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-N-methylbenzamide
SMILESCNC(=O)c1c(F)cccc1Nc1nc(-c2cccnc2)nc2ccc(OC)cc12
InChIInChI=1S/C22H18FN5O2/c1-24-22(29)19-16(23)6-3-7-18(19)27-21-15-11-14(30-2)8-9-17(15)26-20(28-21)13-5-4-10-25-12-13/h3-12H,1-2H3,(H,24,29)(H,26,27,28)
InChIKeyQBPQGLQKMOKKBZ-UHFFFAOYSA-N
MW403.42 g/mol
LogP3.94
Rot. Bonds5

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

2-fluoro-6-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-N-methylbenzamide (PubChem CID 71179826) has the molecular formula C22H18FN5O2 and a molecular weight of 403.42 g/mol. Its IUPAC name is 2-fluoro-6-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-N-methylbenzamide.

Molecular Properties

Compound Name2-fluoro-6-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-N-methylbenzamide
PubChem CID71179826
Molecular FormulaC22H18FN5O2
Molecular Weight403.42 g/mol
Exact Mass403.14
IUPAC Name2-fluoro-6-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-N-methylbenzamide
SMILESCNC(=O)c1c(F)cccc1Nc1nc(-c2cccnc2)nc2ccc(OC)cc12
InChIInChI=1S/C22H18FN5O2/c1-24-22(29)19-16(23)6-3-7-18(19)27-21-15-11-14(30-2)8-9-17(15)26-20(28-21)13-5-4-10-25-12-13/h3-12H,1-2H3,(H,24,29)(H,26,27,28)
InChIKeyQBPQGLQKMOKKBZ-UHFFFAOYSA-N
XLogP3.94
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.42
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-N-methylbenzamide?
The IUPAC name of 2-fluoro-6-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-N-methylbenzamide (CID 71179826) is 2-fluoro-6-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-N-methylbenzamide.
What is the SMILES notation for 2-fluoro-6-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-N-methylbenzamide?
The canonical SMILES for 2-fluoro-6-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-N-methylbenzamide is CNC(=O)c1c(F)cccc1Nc1nc(-c2cccnc2)nc2ccc(OC)cc12.
What is the InChIKey of 2-fluoro-6-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-N-methylbenzamide?
The InChIKey is QBPQGLQKMOKKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN5O2/c1-24-22(29)19-16(23)6-3-7-18(19)27-21-15-11-14(30-2)8-9-17(15)26-20(28-21)13-5-4-10-25-12-13/h3-12H,1-2H3,(H,24,29)(H,26,27,28).
What are the key properties of 2-fluoro-6-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-N-methylbenzamide?
2-fluoro-6-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-N-methylbenzamide has a molecular weight of 403.42 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-N-methylbenzamide is sourced from PubChem (CID 71179826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).