N-[2-(7-chloroquinazolin-4-yl)oxy-3-pyridinyl]-4-fluorobenzamide

C20H12ClFN4O2 — CID 2813565

IUPACN-[2-(7-chloroquinazolin-4-yl)oxy-3-pyridinyl]-4-fluorobenzamide
SMILESO=C(Nc1cccnc1Oc1ncnc2cc(Cl)ccc12)c1ccc(F)cc1
InChIInChI=1S/C20H12ClFN4O2/c21-13-5-8-15-17(10-13)24-11-25-19(15)28-20-16(2-1-9-23-20)26-18(27)12-3-6-14(22)7-4-12/h1-11H,(H,26,27)
InChIKeyGKJHUGJNIZCQRE-UHFFFAOYSA-N
MW394.79 g/mol
LogP4.86
Rot. Bonds4

About N-[2-(7-chloroquinazolin-4-yl)oxy-3-pyridinyl]-4-fluorobenzamide

N-[2-(7-chloroquinazolin-4-yl)oxy-3-pyridinyl]-4-fluorobenzamide (PubChem CID 2813565) has the molecular formula C20H12ClFN4O2 and a molecular weight of 394.79 g/mol. Its IUPAC name is N-[2-(7-chloroquinazolin-4-yl)oxy-3-pyridinyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(7-chloroquinazolin-4-yl)oxy-3-pyridinyl]-4-fluorobenzamide
PubChem CID2813565
Molecular FormulaC20H12ClFN4O2
Molecular Weight394.79 g/mol
Exact Mass394.06
IUPAC NameN-[2-(7-chloroquinazolin-4-yl)oxy-3-pyridinyl]-4-fluorobenzamide
SMILESO=C(Nc1cccnc1Oc1ncnc2cc(Cl)ccc12)c1ccc(F)cc1
InChIInChI=1S/C20H12ClFN4O2/c21-13-5-8-15-17(10-13)24-11-25-19(15)28-20-16(2-1-9-23-20)26-18(27)12-3-6-14(22)7-4-12/h1-11H,(H,26,27)
InChIKeyGKJHUGJNIZCQRE-UHFFFAOYSA-N
XLogP4.86
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.79
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(7-chloroquinazolin-4-yl)oxy-3-pyridinyl]-4-fluorobenzamide?
The IUPAC name of N-[2-(7-chloroquinazolin-4-yl)oxy-3-pyridinyl]-4-fluorobenzamide (CID 2813565) is N-[2-(7-chloroquinazolin-4-yl)oxy-3-pyridinyl]-4-fluorobenzamide.
What is the SMILES notation for N-[2-(7-chloroquinazolin-4-yl)oxy-3-pyridinyl]-4-fluorobenzamide?
The canonical SMILES for N-[2-(7-chloroquinazolin-4-yl)oxy-3-pyridinyl]-4-fluorobenzamide is O=C(Nc1cccnc1Oc1ncnc2cc(Cl)ccc12)c1ccc(F)cc1.
What is the InChIKey of N-[2-(7-chloroquinazolin-4-yl)oxy-3-pyridinyl]-4-fluorobenzamide?
The InChIKey is GKJHUGJNIZCQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12ClFN4O2/c21-13-5-8-15-17(10-13)24-11-25-19(15)28-20-16(2-1-9-23-20)26-18(27)12-3-6-14(22)7-4-12/h1-11H,(H,26,27).
What are the key properties of N-[2-(7-chloroquinazolin-4-yl)oxy-3-pyridinyl]-4-fluorobenzamide?
N-[2-(7-chloroquinazolin-4-yl)oxy-3-pyridinyl]-4-fluorobenzamide has a molecular weight of 394.79 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-chloroquinazolin-4-yl)oxy-3-pyridinyl]-4-fluorobenzamide is sourced from PubChem (CID 2813565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).