2-hydroxy-5-[[2-(morpholin-4-ylmethyl)quinazolin-4-yl]amino]benzoic acid

C20H20N4O4 — CID 21004256

IUPAC2-hydroxy-5-[[2-(morpholin-4-ylmethyl)quinazolin-4-yl]amino]benzoic acid
SMILESO=C(O)c1cc(Nc2nc(CN3CCOCC3)nc3ccccc23)ccc1O
InChIInChI=1S/C20H20N4O4/c25-17-6-5-13(11-15(17)20(26)27)21-19-14-3-1-2-4-16(14)22-18(23-19)12-24-7-9-28-10-8-24/h1-6,11,25H,7-10,12H2,(H,26,27)(H,21,22,23)
InChIKeyBZNSHJBFQNDVDB-UHFFFAOYSA-N
MW380.40 g/mol
LogP2.61
Rot. Bonds5

About 2-hydroxy-5-[[2-(morpholin-4-ylmethyl)quinazolin-4-yl]amino]benzoic acid

2-hydroxy-5-[[2-(morpholin-4-ylmethyl)quinazolin-4-yl]amino]benzoic acid (PubChem CID 21004256) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is 2-hydroxy-5-[[2-(morpholin-4-ylmethyl)quinazolin-4-yl]amino]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-5-[[2-(morpholin-4-ylmethyl)quinazolin-4-yl]amino]benzoic acid
PubChem CID21004256
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC Name2-hydroxy-5-[[2-(morpholin-4-ylmethyl)quinazolin-4-yl]amino]benzoic acid
SMILESO=C(O)c1cc(Nc2nc(CN3CCOCC3)nc3ccccc23)ccc1O
InChIInChI=1S/C20H20N4O4/c25-17-6-5-13(11-15(17)20(26)27)21-19-14-3-1-2-4-16(14)22-18(23-19)12-24-7-9-28-10-8-24/h1-6,11,25H,7-10,12H2,(H,26,27)(H,21,22,23)
InChIKeyBZNSHJBFQNDVDB-UHFFFAOYSA-N
XLogP2.61
TPSA107.81 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

4-Selenocyanatobutyl 2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]benzoate
CID 137640369
3-Selenocyanatopropyl 2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]benzoate
CID 137649496
6-Selenocyanatohexyl 2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]benzoate
CID 137650183
5-Selenocyanatopentyl 2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]benzoate
CID 137655109
2-Selenocyanatoethyl 2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]benzoate
CID 137655612
6-[4-[2-(4-morpholinyl)ethylamino]-1H-quinazolin-2-ylidene]-1-cyclohexa-2,4-dienone
CID 662183
4-{[4-(Morpholin-4-yl)quinazolin-2-yl]amino}phenol
CID 769541
2-Hydroxy-5-[(4-phenyl-6-piperidin-4-ylpyrimidin-2-yl)amino]benzoic acid;hydrobromide
CID 177638049
2-Hydroxy-5-[(6-phenylpyrimidin-4-yl)amino]benzoic acid
CID 16876427
5-[[7-fluoro-6-morpholin-4-yl-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinazolin-4-yl]amino]-2-hydroxybenzoic acid
CID 59743246
5-[[7-Fluoro-6-morpholin-4-yl-2-[2-(5-nitrofuran-2-yl)ethenyl]quinazolin-4-yl]amino]-2-hydroxybenzoic acid
CID 69018307
2-Hydroxy-5-[[2-(trifluoromethyl)quinazolin-4-yl]amino]benzoic acid
CID 1413836

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-[[2-(morpholin-4-ylmethyl)quinazolin-4-yl]amino]benzoic acid?
The IUPAC name of 2-hydroxy-5-[[2-(morpholin-4-ylmethyl)quinazolin-4-yl]amino]benzoic acid (CID 21004256) is 2-hydroxy-5-[[2-(morpholin-4-ylmethyl)quinazolin-4-yl]amino]benzoic acid.
What is the SMILES notation for 2-hydroxy-5-[[2-(morpholin-4-ylmethyl)quinazolin-4-yl]amino]benzoic acid?
The canonical SMILES for 2-hydroxy-5-[[2-(morpholin-4-ylmethyl)quinazolin-4-yl]amino]benzoic acid is O=C(O)c1cc(Nc2nc(CN3CCOCC3)nc3ccccc23)ccc1O.
What is the InChIKey of 2-hydroxy-5-[[2-(morpholin-4-ylmethyl)quinazolin-4-yl]amino]benzoic acid?
The InChIKey is BZNSHJBFQNDVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4/c25-17-6-5-13(11-15(17)20(26)27)21-19-14-3-1-2-4-16(14)22-18(23-19)12-24-7-9-28-10-8-24/h1-6,11,25H,7-10,12H2,(H,26,27)(H,21,22,23).
What are the key properties of 2-hydroxy-5-[[2-(morpholin-4-ylmethyl)quinazolin-4-yl]amino]benzoic acid?
2-hydroxy-5-[[2-(morpholin-4-ylmethyl)quinazolin-4-yl]amino]benzoic acid has a molecular weight of 380.40 g/mol, XLogP of 2.61, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-[[2-(morpholin-4-ylmethyl)quinazolin-4-yl]amino]benzoic acid is sourced from PubChem (CID 21004256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).