3-chloro-4-hydroxy-N-[4-oxo-3-(pyridin-3-ylmethyl)quinazolin-5-yl]benzamide

C21H15ClN4O3 — CID 162685823

IUPAC3-chloro-4-hydroxy-N-[4-oxo-3-(pyridin-3-ylmethyl)quinazolin-5-yl]benzamide
SMILESO=C(Nc1cccc2ncn(Cc3cccnc3)c(=O)c12)c1ccc(O)c(Cl)c1
InChIInChI=1S/C21H15ClN4O3/c22-15-9-14(6-7-18(15)27)20(28)25-17-5-1-4-16-19(17)21(29)26(12-24-16)11-13-3-2-8-23-10-13/h1-10,12,27H,11H2,(H,25,28)
InChIKeyCNXWUIRUQUMYKV-UHFFFAOYSA-N
MW406.83 g/mol
LogP3.45
Rot. Bonds4

About 3-chloro-4-hydroxy-N-[4-oxo-3-(pyridin-3-ylmethyl)quinazolin-5-yl]benzamide

3-chloro-4-hydroxy-N-[4-oxo-3-(pyridin-3-ylmethyl)quinazolin-5-yl]benzamide (PubChem CID 162685823) has the molecular formula C21H15ClN4O3 and a molecular weight of 406.83 g/mol. Its IUPAC name is 3-chloro-4-hydroxy-N-[4-oxo-3-(pyridin-3-ylmethyl)quinazolin-5-yl]benzamide.

Molecular Properties

Compound Name3-chloro-4-hydroxy-N-[4-oxo-3-(pyridin-3-ylmethyl)quinazolin-5-yl]benzamide
PubChem CID162685823
Molecular FormulaC21H15ClN4O3
Molecular Weight406.83 g/mol
Exact Mass406.08
IUPAC Name3-chloro-4-hydroxy-N-[4-oxo-3-(pyridin-3-ylmethyl)quinazolin-5-yl]benzamide
SMILESO=C(Nc1cccc2ncn(Cc3cccnc3)c(=O)c12)c1ccc(O)c(Cl)c1
InChIInChI=1S/C21H15ClN4O3/c22-15-9-14(6-7-18(15)27)20(28)25-17-5-1-4-16-19(17)21(29)26(12-24-16)11-13-3-2-8-23-10-13/h1-10,12,27H,11H2,(H,25,28)
InChIKeyCNXWUIRUQUMYKV-UHFFFAOYSA-N
XLogP3.45
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.83
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-chloro-4-hydroxy-N-[4-oxo-3-(pyridin-3-ylmethyl)quinazolin-5-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US20230278981, Example 1
CID 163301011
US20230278981, Example 52
CID 163301018
US20230278981, Example 122
CID 163301020
Hsd17B13-IN-34
CID 163301026
US20230278981, Example 77
CID 163301027
US20230278981, Example 172
CID 163301028
US20230278981, Example 92
CID 163301033
US20230278981, Example 140
CID 163301034
US20230278981, Example 56
CID 163301043
US20230278981, Example 137
CID 163301044
US20230278981, Example 166
CID 163301047
US20230278981, Example 13
CID 163301066

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-hydroxy-N-[4-oxo-3-(pyridin-3-ylmethyl)quinazolin-5-yl]benzamide?
The IUPAC name of 3-chloro-4-hydroxy-N-[4-oxo-3-(pyridin-3-ylmethyl)quinazolin-5-yl]benzamide (CID 162685823) is 3-chloro-4-hydroxy-N-[4-oxo-3-(pyridin-3-ylmethyl)quinazolin-5-yl]benzamide.
What is the SMILES notation for 3-chloro-4-hydroxy-N-[4-oxo-3-(pyridin-3-ylmethyl)quinazolin-5-yl]benzamide?
The canonical SMILES for 3-chloro-4-hydroxy-N-[4-oxo-3-(pyridin-3-ylmethyl)quinazolin-5-yl]benzamide is O=C(Nc1cccc2ncn(Cc3cccnc3)c(=O)c12)c1ccc(O)c(Cl)c1.
What is the InChIKey of 3-chloro-4-hydroxy-N-[4-oxo-3-(pyridin-3-ylmethyl)quinazolin-5-yl]benzamide?
The InChIKey is CNXWUIRUQUMYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN4O3/c22-15-9-14(6-7-18(15)27)20(28)25-17-5-1-4-16-19(17)21(29)26(12-24-16)11-13-3-2-8-23-10-13/h1-10,12,27H,11H2,(H,25,28).
What are the key properties of 3-chloro-4-hydroxy-N-[4-oxo-3-(pyridin-3-ylmethyl)quinazolin-5-yl]benzamide?
3-chloro-4-hydroxy-N-[4-oxo-3-(pyridin-3-ylmethyl)quinazolin-5-yl]benzamide has a molecular weight of 406.83 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-hydroxy-N-[4-oxo-3-(pyridin-3-ylmethyl)quinazolin-5-yl]benzamide is sourced from PubChem (CID 162685823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).