6-[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)phenoxy]-N-hydroxypyridine-3-carboxamide

C22H18N4O6 — CID 162650187

IUPAC6-[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)phenoxy]-N-hydroxypyridine-3-carboxamide
SMILESCOc1cc(OC)c2c(=O)[nH]c(-c3ccc(Oc4ccc(C(=O)NO)cn4)cc3)nc2c1
InChIInChI=1S/C22H18N4O6/c1-30-15-9-16-19(17(10-15)31-2)22(28)25-20(24-16)12-3-6-14(7-4-12)32-18-8-5-13(11-23-18)21(27)26-29/h3-11,29H,1-2H3,(H,26,27)(H,24,25,28)
InChIKeyBSVGDNMGZGQZNN-UHFFFAOYSA-N
MW434.41 g/mol
LogP2.91
Rot. Bonds6

About 6-[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)phenoxy]-N-hydroxypyridine-3-carboxamide

6-[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)phenoxy]-N-hydroxypyridine-3-carboxamide (PubChem CID 162650187) has the molecular formula C22H18N4O6 and a molecular weight of 434.41 g/mol. Its IUPAC name is 6-[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)phenoxy]-N-hydroxypyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)phenoxy]-N-hydroxypyridine-3-carboxamide
PubChem CID162650187
Molecular FormulaC22H18N4O6
Molecular Weight434.41 g/mol
Exact Mass434.12
IUPAC Name6-[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)phenoxy]-N-hydroxypyridine-3-carboxamide
SMILESCOc1cc(OC)c2c(=O)[nH]c(-c3ccc(Oc4ccc(C(=O)NO)cn4)cc3)nc2c1
InChIInChI=1S/C22H18N4O6/c1-30-15-9-16-19(17(10-15)31-2)22(28)25-20(24-16)12-3-6-14(7-4-12)32-18-8-5-13(11-23-18)21(27)26-29/h3-11,29H,1-2H3,(H,26,27)(H,24,25,28)
InChIKeyBSVGDNMGZGQZNN-UHFFFAOYSA-N
XLogP2.91
TPSA135.66 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.41
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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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Frequently Asked Questions

What is the IUPAC name of 6-[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)phenoxy]-N-hydroxypyridine-3-carboxamide?
The IUPAC name of 6-[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)phenoxy]-N-hydroxypyridine-3-carboxamide (CID 162650187) is 6-[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)phenoxy]-N-hydroxypyridine-3-carboxamide.
What is the SMILES notation for 6-[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)phenoxy]-N-hydroxypyridine-3-carboxamide?
The canonical SMILES for 6-[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)phenoxy]-N-hydroxypyridine-3-carboxamide is COc1cc(OC)c2c(=O)[nH]c(-c3ccc(Oc4ccc(C(=O)NO)cn4)cc3)nc2c1.
What is the InChIKey of 6-[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)phenoxy]-N-hydroxypyridine-3-carboxamide?
The InChIKey is BSVGDNMGZGQZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O6/c1-30-15-9-16-19(17(10-15)31-2)22(28)25-20(24-16)12-3-6-14(7-4-12)32-18-8-5-13(11-23-18)21(27)26-29/h3-11,29H,1-2H3,(H,26,27)(H,24,25,28).
What are the key properties of 6-[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)phenoxy]-N-hydroxypyridine-3-carboxamide?
6-[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)phenoxy]-N-hydroxypyridine-3-carboxamide has a molecular weight of 434.41 g/mol, XLogP of 2.91, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)phenoxy]-N-hydroxypyridine-3-carboxamide is sourced from PubChem (CID 162650187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).