[2-chloro-4-[(6-hydroxyquinazolin-4-yl)amino]phenyl]-pyridin-3-ylmethanone

C20H13ClN4O2 — CID 57226809

IUPAC[2-chloro-4-[(6-hydroxyquinazolin-4-yl)amino]phenyl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)c1ccc(Nc2ncnc3ccc(O)cc23)cc1Cl
InChIInChI=1S/C20H13ClN4O2/c21-17-8-13(3-5-15(17)19(27)12-2-1-7-22-10-12)25-20-16-9-14(26)4-6-18(16)23-11-24-20/h1-11,26H,(H,23,24,25)
InChIKeyZRPHMXYDXNXJCI-UHFFFAOYSA-N
MW376.80 g/mol
LogP4.36
Rot. Bonds4

About [2-chloro-4-[(6-hydroxyquinazolin-4-yl)amino]phenyl]-pyridin-3-ylmethanone

[2-chloro-4-[(6-hydroxyquinazolin-4-yl)amino]phenyl]-pyridin-3-ylmethanone (PubChem CID 57226809) has the molecular formula C20H13ClN4O2 and a molecular weight of 376.80 g/mol. Its IUPAC name is [2-chloro-4-[(6-hydroxyquinazolin-4-yl)amino]phenyl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[2-chloro-4-[(6-hydroxyquinazolin-4-yl)amino]phenyl]-pyridin-3-ylmethanone
PubChem CID57226809
Molecular FormulaC20H13ClN4O2
Molecular Weight376.80 g/mol
Exact Mass376.07
IUPAC Name[2-chloro-4-[(6-hydroxyquinazolin-4-yl)amino]phenyl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)c1ccc(Nc2ncnc3ccc(O)cc23)cc1Cl
InChIInChI=1S/C20H13ClN4O2/c21-17-8-13(3-5-15(17)19(27)12-2-1-7-22-10-12)25-20-16-9-14(26)4-6-18(16)23-11-24-20/h1-11,26H,(H,23,24,25)
InChIKeyZRPHMXYDXNXJCI-UHFFFAOYSA-N
XLogP4.36
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.80
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-chloro-4-[(6-hydroxyquinazolin-4-yl)amino]phenyl]-pyridin-3-ylmethanone?
The IUPAC name of [2-chloro-4-[(6-hydroxyquinazolin-4-yl)amino]phenyl]-pyridin-3-ylmethanone (CID 57226809) is [2-chloro-4-[(6-hydroxyquinazolin-4-yl)amino]phenyl]-pyridin-3-ylmethanone.
What is the SMILES notation for [2-chloro-4-[(6-hydroxyquinazolin-4-yl)amino]phenyl]-pyridin-3-ylmethanone?
The canonical SMILES for [2-chloro-4-[(6-hydroxyquinazolin-4-yl)amino]phenyl]-pyridin-3-ylmethanone is O=C(c1cccnc1)c1ccc(Nc2ncnc3ccc(O)cc23)cc1Cl.
What is the InChIKey of [2-chloro-4-[(6-hydroxyquinazolin-4-yl)amino]phenyl]-pyridin-3-ylmethanone?
The InChIKey is ZRPHMXYDXNXJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClN4O2/c21-17-8-13(3-5-15(17)19(27)12-2-1-7-22-10-12)25-20-16-9-14(26)4-6-18(16)23-11-24-20/h1-11,26H,(H,23,24,25).
What are the key properties of [2-chloro-4-[(6-hydroxyquinazolin-4-yl)amino]phenyl]-pyridin-3-ylmethanone?
[2-chloro-4-[(6-hydroxyquinazolin-4-yl)amino]phenyl]-pyridin-3-ylmethanone has a molecular weight of 376.80 g/mol, XLogP of 4.36, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-4-[(6-hydroxyquinazolin-4-yl)amino]phenyl]-pyridin-3-ylmethanone is sourced from PubChem (CID 57226809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).