N-(6,7-dimethoxyquinazolin-4-yl)-3-hydroxybenzamide

C17H15N3O4 — CID 174885558

IUPACN-(6,7-dimethoxyquinazolin-4-yl)-3-hydroxybenzamide
SMILESCOc1cc2ncnc(NC(=O)c3cccc(O)c3)c2cc1OC
InChIInChI=1S/C17H15N3O4/c1-23-14-7-12-13(8-15(14)24-2)18-9-19-16(12)20-17(22)10-4-3-5-11(21)6-10/h3-9,21H,1-2H3,(H,18,19,20,22)
InChIKeyHRFLHQUBWXWKEG-UHFFFAOYSA-N
MW325.32 g/mol
LogP2.60
Rot. Bonds4

About N-(6,7-dimethoxyquinazolin-4-yl)-3-hydroxybenzamide

N-(6,7-dimethoxyquinazolin-4-yl)-3-hydroxybenzamide (PubChem CID 174885558) has the molecular formula C17H15N3O4 and a molecular weight of 325.32 g/mol. Its IUPAC name is N-(6,7-dimethoxyquinazolin-4-yl)-3-hydroxybenzamide.

Molecular Properties

Compound NameN-(6,7-dimethoxyquinazolin-4-yl)-3-hydroxybenzamide
PubChem CID174885558
Molecular FormulaC17H15N3O4
Molecular Weight325.32 g/mol
Exact Mass325.11
IUPAC NameN-(6,7-dimethoxyquinazolin-4-yl)-3-hydroxybenzamide
SMILESCOc1cc2ncnc(NC(=O)c3cccc(O)c3)c2cc1OC
InChIInChI=1S/C17H15N3O4/c1-23-14-7-12-13(8-15(14)24-2)18-9-19-16(12)20-17(22)10-4-3-5-11(21)6-10/h3-9,21H,1-2H3,(H,18,19,20,22)
InChIKeyHRFLHQUBWXWKEG-UHFFFAOYSA-N
XLogP2.60
TPSA93.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]benzamide
CID 162673382
N-(6,7-dimethoxyquinazolin-4-yl)-2,2-dimethylpropanamide
CID 155236083
4-cyano-N-[3-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]benzamide
CID 22732246
N-[4-[(6-methoxy-7-propoxyquinazolin-4-yl)amino]phenyl]benzamide
CID 59295374
N-[2-chloro-5-[(6,7-dimethoxyquinazolin-4-yl)amino]-4-fluorophenyl]benzamide;hydrochloride
CID 22732318
3-chloro-N-[5-[[7-(3-chloropropoxy)-6-methoxyquinazolin-4-yl]amino]-2-pyridinyl]benzamide
CID 57447230
N-[5-chloro-6-(4-hydroxyphenoxy)pyrimidin-4-yl]-3,4-dimethoxybenzamide
CID 175746842
3-chloro-N-[5-[[6-methoxy-7-[[(2S)-oxiran-2-yl]methoxy]quinazolin-4-yl]amino]pyrimidin-2-yl]benzamide
CID 87871106
3-methoxy-N-[4-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]phenyl]benzamide
CID 66550689
3-[(6,7-dimethoxyquinazolin-4-yl)-methylamino]phenol
CID 127034132
2-bromo-3-[(6,7-dimethoxyquinazolin-4-yl)amino]phenol;hydrochloride
CID 118112015
6-[(6,7-dimethoxyquinazolin-4-yl)amino]-N-(4-fluorophenyl)naphthalene-1-carboxamide
CID 59813851

Frequently Asked Questions

What is the IUPAC name of N-(6,7-dimethoxyquinazolin-4-yl)-3-hydroxybenzamide?
The IUPAC name of N-(6,7-dimethoxyquinazolin-4-yl)-3-hydroxybenzamide (CID 174885558) is N-(6,7-dimethoxyquinazolin-4-yl)-3-hydroxybenzamide.
What is the SMILES notation for N-(6,7-dimethoxyquinazolin-4-yl)-3-hydroxybenzamide?
The canonical SMILES for N-(6,7-dimethoxyquinazolin-4-yl)-3-hydroxybenzamide is COc1cc2ncnc(NC(=O)c3cccc(O)c3)c2cc1OC.
What is the InChIKey of N-(6,7-dimethoxyquinazolin-4-yl)-3-hydroxybenzamide?
The InChIKey is HRFLHQUBWXWKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4/c1-23-14-7-12-13(8-15(14)24-2)18-9-19-16(12)20-17(22)10-4-3-5-11(21)6-10/h3-9,21H,1-2H3,(H,18,19,20,22).
What are the key properties of N-(6,7-dimethoxyquinazolin-4-yl)-3-hydroxybenzamide?
N-(6,7-dimethoxyquinazolin-4-yl)-3-hydroxybenzamide has a molecular weight of 325.32 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7-dimethoxyquinazolin-4-yl)-3-hydroxybenzamide is sourced from PubChem (CID 174885558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).