3,5-dichloro-N-[3-[(3-cyanophenyl)methyl]-4-oxoquinazolin-5-yl]-4-hydroxybenzamide

C23H14Cl2N4O3 — CID 163301003

IUPAC3,5-dichloro-N-[3-[(3-cyanophenyl)methyl]-4-oxoquinazolin-5-yl]-4-hydroxybenzamide
SMILESN#Cc1cccc(Cn2cnc3cccc(NC(=O)c4cc(Cl)c(O)c(Cl)c4)c3c2=O)c1
InChIInChI=1S/C23H14Cl2N4O3/c24-16-8-15(9-17(25)21(16)30)22(31)28-19-6-2-5-18-20(19)23(32)29(12-27-18)11-14-4-1-3-13(7-14)10-26/h1-9,12,30H,11H2,(H,28,31)
InChIKeyHLXMECCYXGERTH-UHFFFAOYSA-N
MW465.30 g/mol
LogP4.58
Rot. Bonds4

About 3,5-dichloro-N-[3-[(3-cyanophenyl)methyl]-4-oxoquinazolin-5-yl]-4-hydroxybenzamide

3,5-dichloro-N-[3-[(3-cyanophenyl)methyl]-4-oxoquinazolin-5-yl]-4-hydroxybenzamide (PubChem CID 163301003) has the molecular formula C23H14Cl2N4O3 and a molecular weight of 465.30 g/mol. Its IUPAC name is 3,5-dichloro-N-[3-[(3-cyanophenyl)methyl]-4-oxoquinazolin-5-yl]-4-hydroxybenzamide.

Molecular Properties

Compound Name3,5-dichloro-N-[3-[(3-cyanophenyl)methyl]-4-oxoquinazolin-5-yl]-4-hydroxybenzamide
PubChem CID163301003
Molecular FormulaC23H14Cl2N4O3
Molecular Weight465.30 g/mol
Exact Mass464.04
IUPAC Name3,5-dichloro-N-[3-[(3-cyanophenyl)methyl]-4-oxoquinazolin-5-yl]-4-hydroxybenzamide
SMILESN#Cc1cccc(Cn2cnc3cccc(NC(=O)c4cc(Cl)c(O)c(Cl)c4)c3c2=O)c1
InChIInChI=1S/C23H14Cl2N4O3/c24-16-8-15(9-17(25)21(16)30)22(31)28-19-6-2-5-18-20(19)23(32)29(12-27-18)11-14-4-1-3-13(7-14)10-26/h1-9,12,30H,11H2,(H,28,31)
InChIKeyHLXMECCYXGERTH-UHFFFAOYSA-N
XLogP4.58
TPSA108.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.30
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-dichloro-4-hydroxy-N-[3-[[4-(2-hydroxyethoxy)phenyl]methyl]-4-oxoquinazolin-5-yl]benzamide
CID 163301171
3,5-dichloro-N-[3-[[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methyl]-4-oxoquinazolin-5-yl]-4-hydroxybenzamide
CID 167072074
4,6-dichloro-5-hydroxy-N-[3-[(3-methylphenyl)methyl]-4-oxoquinazolin-5-yl]pyridine-2-carboxamide
CID 170204505
3-[(6-chloro-4-oxoquinazolin-3-yl)methyl]benzonitrile
CID 8536688
3-chloro-5-cyano-N-[3-[(1S)-1-(3-fluorophenyl)ethyl]-4-oxoquinazolin-5-yl]-4-hydroxybenzamide
CID 162685758
3-[(7-bromo-4-oxoquinazolin-3-yl)methyl]benzonitrile
CID 78961074
3,5-dichloro-4-hydroxy-N-[3-[(2-methoxyphenyl)methyl]-6-methyl-4-oxoquinazolin-5-yl]benzamide
CID 170204529
3,5-dichloro-N-[8-chloro-4-oxo-3-[[2-(trifluoromethoxy)phenyl]methyl]quinazolin-5-yl]-4-hydroxybenzamide
CID 163301090
3-[(5-chloro-2,4-dioxopyrimidin-1-yl)methyl]benzonitrile
CID 66423584
3-[(6-chloropurin-9-yl)methyl]benzonitrile
CID 14022462
ethyl 3-[(3-cyanophenyl)methyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate
CID 8652407
3-chloro-N-[1-[(3-chlorophenyl)methyl]-5-cyanoimidazol-4-yl]benzamide
CID 139986469

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[3-[(3-cyanophenyl)methyl]-4-oxoquinazolin-5-yl]-4-hydroxybenzamide?
The IUPAC name of 3,5-dichloro-N-[3-[(3-cyanophenyl)methyl]-4-oxoquinazolin-5-yl]-4-hydroxybenzamide (CID 163301003) is 3,5-dichloro-N-[3-[(3-cyanophenyl)methyl]-4-oxoquinazolin-5-yl]-4-hydroxybenzamide.
What is the SMILES notation for 3,5-dichloro-N-[3-[(3-cyanophenyl)methyl]-4-oxoquinazolin-5-yl]-4-hydroxybenzamide?
The canonical SMILES for 3,5-dichloro-N-[3-[(3-cyanophenyl)methyl]-4-oxoquinazolin-5-yl]-4-hydroxybenzamide is N#Cc1cccc(Cn2cnc3cccc(NC(=O)c4cc(Cl)c(O)c(Cl)c4)c3c2=O)c1.
What is the InChIKey of 3,5-dichloro-N-[3-[(3-cyanophenyl)methyl]-4-oxoquinazolin-5-yl]-4-hydroxybenzamide?
The InChIKey is HLXMECCYXGERTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14Cl2N4O3/c24-16-8-15(9-17(25)21(16)30)22(31)28-19-6-2-5-18-20(19)23(32)29(12-27-18)11-14-4-1-3-13(7-14)10-26/h1-9,12,30H,11H2,(H,28,31).
What are the key properties of 3,5-dichloro-N-[3-[(3-cyanophenyl)methyl]-4-oxoquinazolin-5-yl]-4-hydroxybenzamide?
3,5-dichloro-N-[3-[(3-cyanophenyl)methyl]-4-oxoquinazolin-5-yl]-4-hydroxybenzamide has a molecular weight of 465.30 g/mol, XLogP of 4.58, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[3-[(3-cyanophenyl)methyl]-4-oxoquinazolin-5-yl]-4-hydroxybenzamide is sourced from PubChem (CID 163301003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).