3,5-dihydroxy-N-methoxy-6-[4-(1-phenylethylamino)quinazolin-6-yl]oxyhexanamide

C23H28N4O5 — CID 11590291

IUPAC3,5-dihydroxy-N-methoxy-6-[4-(1-phenylethylamino)quinazolin-6-yl]oxyhexanamide
SMILESCONC(=O)CC(O)CC(O)COc1ccc2ncnc(NC(C)c3ccccc3)c2c1
InChIInChI=1S/C23H28N4O5/c1-15(16-6-4-3-5-7-16)26-23-20-12-19(8-9-21(20)24-14-25-23)32-13-18(29)10-17(28)11-22(30)27-31-2/h3-9,12,14-15,17-18,28-29H,10-11,13H2,1-2H3,(H,27,30)(H,24,25,26)
InChIKeyAVNGOXYORKICQX-UHFFFAOYSA-N
MW440.50 g/mol
LogP2.36
Rot. Bonds11

About 3,5-dihydroxy-N-methoxy-6-[4-(1-phenylethylamino)quinazolin-6-yl]oxyhexanamide

3,5-dihydroxy-N-methoxy-6-[4-(1-phenylethylamino)quinazolin-6-yl]oxyhexanamide (PubChem CID 11590291) has the molecular formula C23H28N4O5 and a molecular weight of 440.50 g/mol. Its IUPAC name is 3,5-dihydroxy-N-methoxy-6-[4-(1-phenylethylamino)quinazolin-6-yl]oxyhexanamide.

Molecular Properties

Compound Name3,5-dihydroxy-N-methoxy-6-[4-(1-phenylethylamino)quinazolin-6-yl]oxyhexanamide
PubChem CID11590291
Molecular FormulaC23H28N4O5
Molecular Weight440.50 g/mol
Exact Mass440.21
IUPAC Name3,5-dihydroxy-N-methoxy-6-[4-(1-phenylethylamino)quinazolin-6-yl]oxyhexanamide
SMILESCONC(=O)CC(O)CC(O)COc1ccc2ncnc(NC(C)c3ccccc3)c2c1
InChIInChI=1S/C23H28N4O5/c1-15(16-6-4-3-5-7-16)26-23-20-12-19(8-9-21(20)24-14-25-23)32-13-18(29)10-17(28)11-22(30)27-31-2/h3-9,12,14-15,17-18,28-29H,10-11,13H2,1-2H3,(H,27,30)(H,24,25,26)
InChIKeyAVNGOXYORKICQX-UHFFFAOYSA-N
XLogP2.36
TPSA125.83 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 52.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3,5-dihydroxy-N-methoxy-6-[4-(1-phenylethylamino)quinazolin-6-yl]oxyhexanamide with MolForge

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Related Compounds

methyl 5-[4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]pyridine-3-carboxylate
CID 164556584
2-[[6-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]oxy-3,5-dihydroxyhexanoyl]amino]-3-hydroxypropanoic acid
CID 11578079
1-[4-[4-(1-phenylethylamino)quinazolin-6-yl]phenyl]butan-2-one
CID 165054459
7-methoxy-4-N-(1-phenylethyl)quinazoline-4,6-diamine
CID 22269913
4-amino-2-[(6-methoxyquinazolin-4-yl)amino]-4-oxobutanoic acid
CID 21002885
6-(5-amino-3-pyridinyl)-N-(1-phenylethyl)quinazolin-4-amine
CID 164556375
methyl 4-[4-[4-(1-phenylethylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenoxy]butanoate
CID 69234366
3,5-dihydroxy-N-(2-methoxyethyl)-6-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]oxyhexanamide
CID 11577688
6-iodo-7-methoxy-N-[(1R)-1-phenylethyl]quinazolin-4-amine
CID 69232909
N-hydroxy-3-[4-[4-[[(1R)-1-phenylethyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenoxy]propanamide
CID 24900445
methyl (2R)-3-[(6-bromoquinazolin-4-yl)amino]-2-phenylpropanoate
CID 96514664
methyl (3S,5S)-3,5-dihydroxy-6-phenoxyhexanoate
CID 134918879

Frequently Asked Questions

What is the IUPAC name of 3,5-dihydroxy-N-methoxy-6-[4-(1-phenylethylamino)quinazolin-6-yl]oxyhexanamide?
The IUPAC name of 3,5-dihydroxy-N-methoxy-6-[4-(1-phenylethylamino)quinazolin-6-yl]oxyhexanamide (CID 11590291) is 3,5-dihydroxy-N-methoxy-6-[4-(1-phenylethylamino)quinazolin-6-yl]oxyhexanamide.
What is the SMILES notation for 3,5-dihydroxy-N-methoxy-6-[4-(1-phenylethylamino)quinazolin-6-yl]oxyhexanamide?
The canonical SMILES for 3,5-dihydroxy-N-methoxy-6-[4-(1-phenylethylamino)quinazolin-6-yl]oxyhexanamide is CONC(=O)CC(O)CC(O)COc1ccc2ncnc(NC(C)c3ccccc3)c2c1.
What is the InChIKey of 3,5-dihydroxy-N-methoxy-6-[4-(1-phenylethylamino)quinazolin-6-yl]oxyhexanamide?
The InChIKey is AVNGOXYORKICQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O5/c1-15(16-6-4-3-5-7-16)26-23-20-12-19(8-9-21(20)24-14-25-23)32-13-18(29)10-17(28)11-22(30)27-31-2/h3-9,12,14-15,17-18,28-29H,10-11,13H2,1-2H3,(H,27,30)(H,24,25,26).
What are the key properties of 3,5-dihydroxy-N-methoxy-6-[4-(1-phenylethylamino)quinazolin-6-yl]oxyhexanamide?
3,5-dihydroxy-N-methoxy-6-[4-(1-phenylethylamino)quinazolin-6-yl]oxyhexanamide has a molecular weight of 440.50 g/mol, XLogP of 2.36, 11 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dihydroxy-N-methoxy-6-[4-(1-phenylethylamino)quinazolin-6-yl]oxyhexanamide is sourced from PubChem (CID 11590291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).