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

C15H19N5O4 — CID 72545686

IUPACN-hydroxy-7-[(6-nitroquinazolin-4-yl)amino]heptanamide
SMILESO=C(CCCCCCNc1ncnc2ccc([N+](=O)[O-])cc12)NO
InChIInChI=1S/C15H19N5O4/c21-14(19-22)5-3-1-2-4-8-16-15-12-9-11(20(23)24)6-7-13(12)17-10-18-15/h6-7,9-10,22H,1-5,8H2,(H,19,21)(H,16,17,18)
InChIKeyQVMMXNRSGHGZQX-UHFFFAOYSA-N
MW333.35 g/mol
LogP2.41
Rot. Bonds9

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

N-hydroxy-7-[(6-nitroquinazolin-4-yl)amino]heptanamide (PubChem CID 72545686) has the molecular formula C15H19N5O4 and a molecular weight of 333.35 g/mol. Its IUPAC name is N-hydroxy-7-[(6-nitroquinazolin-4-yl)amino]heptanamide.

Molecular Properties

Compound NameN-hydroxy-7-[(6-nitroquinazolin-4-yl)amino]heptanamide
PubChem CID72545686
Molecular FormulaC15H19N5O4
Molecular Weight333.35 g/mol
Exact Mass333.14
IUPAC NameN-hydroxy-7-[(6-nitroquinazolin-4-yl)amino]heptanamide
SMILESO=C(CCCCCCNc1ncnc2ccc([N+](=O)[O-])cc12)NO
InChIInChI=1S/C15H19N5O4/c21-14(19-22)5-3-1-2-4-8-16-15-12-9-11(20(23)24)6-7-13(12)17-10-18-15/h6-7,9-10,22H,1-5,8H2,(H,19,21)(H,16,17,18)
InChIKeyQVMMXNRSGHGZQX-UHFFFAOYSA-N
XLogP2.41
TPSA130.28 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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-nitroquinazolin-4-yl)amino]heptanamide?
The IUPAC name of N-hydroxy-7-[(6-nitroquinazolin-4-yl)amino]heptanamide (CID 72545686) is N-hydroxy-7-[(6-nitroquinazolin-4-yl)amino]heptanamide.
What is the SMILES notation for N-hydroxy-7-[(6-nitroquinazolin-4-yl)amino]heptanamide?
The canonical SMILES for N-hydroxy-7-[(6-nitroquinazolin-4-yl)amino]heptanamide is O=C(CCCCCCNc1ncnc2ccc([N+](=O)[O-])cc12)NO.
What is the InChIKey of N-hydroxy-7-[(6-nitroquinazolin-4-yl)amino]heptanamide?
The InChIKey is QVMMXNRSGHGZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O4/c21-14(19-22)5-3-1-2-4-8-16-15-12-9-11(20(23)24)6-7-13(12)17-10-18-15/h6-7,9-10,22H,1-5,8H2,(H,19,21)(H,16,17,18).
What are the key properties of N-hydroxy-7-[(6-nitroquinazolin-4-yl)amino]heptanamide?
N-hydroxy-7-[(6-nitroquinazolin-4-yl)amino]heptanamide has a molecular weight of 333.35 g/mol, XLogP of 2.41, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-7-[(6-nitroquinazolin-4-yl)amino]heptanamide is sourced from PubChem (CID 72545686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).