N-hydroxy-7-[(6-methylquinazolin-4-yl)amino]heptanamide

C16H22N4O2 — CID 72545683

IUPACN-hydroxy-7-[(6-methylquinazolin-4-yl)amino]heptanamide
SMILESCc1ccc2ncnc(NCCCCCCC(=O)NO)c2c1
InChIInChI=1S/C16H22N4O2/c1-12-7-8-14-13(10-12)16(19-11-18-14)17-9-5-3-2-4-6-15(21)20-22/h7-8,10-11,22H,2-6,9H2,1H3,(H,20,21)(H,17,18,19)
InChIKeyCKAQQSINGFUQHV-UHFFFAOYSA-N
MW302.38 g/mol
LogP2.81
Rot. Bonds8

About N-hydroxy-7-[(6-methylquinazolin-4-yl)amino]heptanamide

N-hydroxy-7-[(6-methylquinazolin-4-yl)amino]heptanamide (PubChem CID 72545683) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is N-hydroxy-7-[(6-methylquinazolin-4-yl)amino]heptanamide.

Molecular Properties

Compound NameN-hydroxy-7-[(6-methylquinazolin-4-yl)amino]heptanamide
PubChem CID72545683
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC NameN-hydroxy-7-[(6-methylquinazolin-4-yl)amino]heptanamide
SMILESCc1ccc2ncnc(NCCCCCCC(=O)NO)c2c1
InChIInChI=1S/C16H22N4O2/c1-12-7-8-14-13(10-12)16(19-11-18-14)17-9-5-3-2-4-6-15(21)20-22/h7-8,10-11,22H,2-6,9H2,1H3,(H,20,21)(H,17,18,19)
InChIKeyCKAQQSINGFUQHV-UHFFFAOYSA-N
XLogP2.81
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.81
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-7-[(6-methylquinazolin-4-yl)amino]heptanamide?
The IUPAC name of N-hydroxy-7-[(6-methylquinazolin-4-yl)amino]heptanamide (CID 72545683) is N-hydroxy-7-[(6-methylquinazolin-4-yl)amino]heptanamide.
What is the SMILES notation for N-hydroxy-7-[(6-methylquinazolin-4-yl)amino]heptanamide?
The canonical SMILES for N-hydroxy-7-[(6-methylquinazolin-4-yl)amino]heptanamide is Cc1ccc2ncnc(NCCCCCCC(=O)NO)c2c1.
What is the InChIKey of N-hydroxy-7-[(6-methylquinazolin-4-yl)amino]heptanamide?
The InChIKey is CKAQQSINGFUQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-12-7-8-14-13(10-12)16(19-11-18-14)17-9-5-3-2-4-6-15(21)20-22/h7-8,10-11,22H,2-6,9H2,1H3,(H,20,21)(H,17,18,19).
What are the key properties of N-hydroxy-7-[(6-methylquinazolin-4-yl)amino]heptanamide?
N-hydroxy-7-[(6-methylquinazolin-4-yl)amino]heptanamide has a molecular weight of 302.38 g/mol, XLogP of 2.81, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-7-[(6-methylquinazolin-4-yl)amino]heptanamide is sourced from PubChem (CID 72545683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).