4-(5,7-dimethoxy-4-piperidin-1-ylquinazolin-2-yl)-N-hydroxybenzamide

C22H24N4O4 — CID 164625597

IUPAC4-(5,7-dimethoxy-4-piperidin-1-ylquinazolin-2-yl)-N-hydroxybenzamide
SMILESCOc1cc(OC)c2c(N3CCCCC3)nc(-c3ccc(C(=O)NO)cc3)nc2c1
InChIInChI=1S/C22H24N4O4/c1-29-16-12-17-19(18(13-16)30-2)21(26-10-4-3-5-11-26)24-20(23-17)14-6-8-15(9-7-14)22(27)25-28/h6-9,12-13,28H,3-5,10-11H2,1-2H3,(H,25,27)
InChIKeyFKADMRJFBWFFGD-UHFFFAOYSA-N
MW408.46 g/mol
LogP3.42
Rot. Bonds5

About 4-(5,7-dimethoxy-4-piperidin-1-ylquinazolin-2-yl)-N-hydroxybenzamide

4-(5,7-dimethoxy-4-piperidin-1-ylquinazolin-2-yl)-N-hydroxybenzamide (PubChem CID 164625597) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is 4-(5,7-dimethoxy-4-piperidin-1-ylquinazolin-2-yl)-N-hydroxybenzamide.

Molecular Properties

Compound Name4-(5,7-dimethoxy-4-piperidin-1-ylquinazolin-2-yl)-N-hydroxybenzamide
PubChem CID164625597
Molecular FormulaC22H24N4O4
Molecular Weight408.46 g/mol
Exact Mass408.18
IUPAC Name4-(5,7-dimethoxy-4-piperidin-1-ylquinazolin-2-yl)-N-hydroxybenzamide
SMILESCOc1cc(OC)c2c(N3CCCCC3)nc(-c3ccc(C(=O)NO)cc3)nc2c1
InChIInChI=1S/C22H24N4O4/c1-29-16-12-17-19(18(13-16)30-2)21(26-10-4-3-5-11-26)24-20(23-17)14-6-8-15(9-7-14)22(27)25-28/h6-9,12-13,28H,3-5,10-11H2,1-2H3,(H,25,27)
InChIKeyFKADMRJFBWFFGD-UHFFFAOYSA-N
XLogP3.42
TPSA96.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-[4-(5,7-dimethoxy-4-pyrrolidin-1-ylquinazolin-2-yl)-2,6-dimethylphenoxy]-N-hydroxypentanamide
CID 162664216
2-(4-methoxyphenyl)-4-pyrrolidin-1-ylquinazoline
CID 731359
N-(2,4-dimethoxyphenyl)-3-piperidin-1-ylquinoxaline-2-carboxamide
CID 46365183
4-(7-chloro-4-thiomorpholin-4-ylquinazolin-2-yl)-N-hydroxybenzamide
CID 164627540
2-(3,4-dimethoxyphenyl)-4-piperidin-1-ylpyrimidine-5-carboxylic acid
CID 53214933
[3-(4-methoxyphenoxy)-4-(4-methoxyphenyl)phenyl]-piperidin-1-ylmethanone
CID 23264012
2-(3,4-dimethoxyphenyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxylic acid
CID 53214897
N-[6-(azepan-1-yl)-3-pyridinyl]-4-methoxybenzamide
CID 113015890
N-[1-[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)phenyl]piperidin-4-yl]benzamide
CID 135939097
N-(3,5-dimethoxyphenyl)-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide
CID 53098854
N-[2-[2-(dimethylamino)ethoxy]-3-piperidin-1-ylquinoxalin-6-yl]-4-(4-methoxyphenyl)benzamide
CID 169275069
methyl 2-(4-methoxyphenyl)-4-piperidin-1-yl-1H-imidazole-5-carboxylate
CID 628810

Frequently Asked Questions

What is the IUPAC name of 4-(5,7-dimethoxy-4-piperidin-1-ylquinazolin-2-yl)-N-hydroxybenzamide?
The IUPAC name of 4-(5,7-dimethoxy-4-piperidin-1-ylquinazolin-2-yl)-N-hydroxybenzamide (CID 164625597) is 4-(5,7-dimethoxy-4-piperidin-1-ylquinazolin-2-yl)-N-hydroxybenzamide.
What is the SMILES notation for 4-(5,7-dimethoxy-4-piperidin-1-ylquinazolin-2-yl)-N-hydroxybenzamide?
The canonical SMILES for 4-(5,7-dimethoxy-4-piperidin-1-ylquinazolin-2-yl)-N-hydroxybenzamide is COc1cc(OC)c2c(N3CCCCC3)nc(-c3ccc(C(=O)NO)cc3)nc2c1.
What is the InChIKey of 4-(5,7-dimethoxy-4-piperidin-1-ylquinazolin-2-yl)-N-hydroxybenzamide?
The InChIKey is FKADMRJFBWFFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4/c1-29-16-12-17-19(18(13-16)30-2)21(26-10-4-3-5-11-26)24-20(23-17)14-6-8-15(9-7-14)22(27)25-28/h6-9,12-13,28H,3-5,10-11H2,1-2H3,(H,25,27).
What are the key properties of 4-(5,7-dimethoxy-4-piperidin-1-ylquinazolin-2-yl)-N-hydroxybenzamide?
4-(5,7-dimethoxy-4-piperidin-1-ylquinazolin-2-yl)-N-hydroxybenzamide has a molecular weight of 408.46 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,7-dimethoxy-4-piperidin-1-ylquinazolin-2-yl)-N-hydroxybenzamide is sourced from PubChem (CID 164625597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).