7-(6-chloro-2-methyl-4-oxoquinazolin-3-yl)-N-hydroxyheptanamide

C16H20ClN3O3 — CID 151688990

IUPAC7-(6-chloro-2-methyl-4-oxoquinazolin-3-yl)-N-hydroxyheptanamide
SMILESCc1nc2ccc(Cl)cc2c(=O)n1CCCCCCC(=O)NO
InChIInChI=1S/C16H20ClN3O3/c1-11-18-14-8-7-12(17)10-13(14)16(22)20(11)9-5-3-2-4-6-15(21)19-23/h7-8,10,23H,2-6,9H2,1H3,(H,19,21)
InChIKeyRCDPPADXJGHKRB-UHFFFAOYSA-N
MW337.81 g/mol
LogP2.81
Rot. Bonds7

About 7-(6-chloro-2-methyl-4-oxoquinazolin-3-yl)-N-hydroxyheptanamide

7-(6-chloro-2-methyl-4-oxoquinazolin-3-yl)-N-hydroxyheptanamide (PubChem CID 151688990) has the molecular formula C16H20ClN3O3 and a molecular weight of 337.81 g/mol. Its IUPAC name is 7-(6-chloro-2-methyl-4-oxoquinazolin-3-yl)-N-hydroxyheptanamide.

Molecular Properties

Compound Name7-(6-chloro-2-methyl-4-oxoquinazolin-3-yl)-N-hydroxyheptanamide
PubChem CID151688990
Molecular FormulaC16H20ClN3O3
Molecular Weight337.81 g/mol
Exact Mass337.12
IUPAC Name7-(6-chloro-2-methyl-4-oxoquinazolin-3-yl)-N-hydroxyheptanamide
SMILESCc1nc2ccc(Cl)cc2c(=O)n1CCCCCCC(=O)NO
InChIInChI=1S/C16H20ClN3O3/c1-11-18-14-8-7-12(17)10-13(14)16(22)20(11)9-5-3-2-4-6-15(21)19-23/h7-8,10,23H,2-6,9H2,1H3,(H,19,21)
InChIKeyRCDPPADXJGHKRB-UHFFFAOYSA-N
XLogP2.81
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-4-(2-methyl-4-oxoquinazolin-3-yl)butanamide
CID 54672499
methyl 8-[4-(2-methyl-4-oxoquinazolin-3-yl)butanoylamino]octanoate
CID 71851736
2,6-dichloro-3-[2-(methylamino)ethyl]quinazolin-4-one
CID 117264080
N-(2-aminophenyl)-4-[(6-chloro-2-methyl-4-oxoquinazolin-3-yl)methyl]benzamide
CID 10159021
2,6-dichloro-3-ethylquinazolin-4-one
CID 114692904
6-chloro-1-dodecyl-2-methylbenzimidazole
CID 139664986
5-(5-chloro-2-methylbenzimidazol-1-yl)pentan-2-one
CID 167596718
4-[(2,6-dimethyl-4-oxoquinazolin-3-yl)methyl]-N-hydroxybenzamide
CID 142751614
3-(2-aminoethyl)-2,6-dichloroquinazolin-4-one
CID 117264077
4-(2-methyl-4-oxoquinazolin-3-yl)-N-[2-(4-phenylphenyl)phenyl]butanamide
CID 167956083
7-(4-chloro-2-methylphenoxy)-N-hydroxyheptanamide
CID 39387148
N-[1-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-ethylheptanamide
CID 42714113

Frequently Asked Questions

What is the IUPAC name of 7-(6-chloro-2-methyl-4-oxoquinazolin-3-yl)-N-hydroxyheptanamide?
The IUPAC name of 7-(6-chloro-2-methyl-4-oxoquinazolin-3-yl)-N-hydroxyheptanamide (CID 151688990) is 7-(6-chloro-2-methyl-4-oxoquinazolin-3-yl)-N-hydroxyheptanamide.
What is the SMILES notation for 7-(6-chloro-2-methyl-4-oxoquinazolin-3-yl)-N-hydroxyheptanamide?
The canonical SMILES for 7-(6-chloro-2-methyl-4-oxoquinazolin-3-yl)-N-hydroxyheptanamide is Cc1nc2ccc(Cl)cc2c(=O)n1CCCCCCC(=O)NO.
What is the InChIKey of 7-(6-chloro-2-methyl-4-oxoquinazolin-3-yl)-N-hydroxyheptanamide?
The InChIKey is RCDPPADXJGHKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O3/c1-11-18-14-8-7-12(17)10-13(14)16(22)20(11)9-5-3-2-4-6-15(21)19-23/h7-8,10,23H,2-6,9H2,1H3,(H,19,21).
What are the key properties of 7-(6-chloro-2-methyl-4-oxoquinazolin-3-yl)-N-hydroxyheptanamide?
7-(6-chloro-2-methyl-4-oxoquinazolin-3-yl)-N-hydroxyheptanamide has a molecular weight of 337.81 g/mol, XLogP of 2.81, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-chloro-2-methyl-4-oxoquinazolin-3-yl)-N-hydroxyheptanamide is sourced from PubChem (CID 151688990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).