6-[4-(N-ethylanilino)quinazolin-6-yl]oxyhexanoic acid

C22H25N3O3 — CID 68729366

IUPAC6-[4-(N-ethylanilino)quinazolin-6-yl]oxyhexanoic acid
SMILESCCN(c1ccccc1)c1ncnc2ccc(OCCCCCC(=O)O)cc12
InChIInChI=1S/C22H25N3O3/c1-2-25(17-9-5-3-6-10-17)22-19-15-18(12-13-20(19)23-16-24-22)28-14-8-4-7-11-21(26)27/h3,5-6,9-10,12-13,15-16H,2,4,7-8,11,14H2,1H3,(H,26,27)
InChIKeyCGQPQUMJUPHUFI-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.81
Rot. Bonds10

About 6-[4-(N-ethylanilino)quinazolin-6-yl]oxyhexanoic acid

6-[4-(N-ethylanilino)quinazolin-6-yl]oxyhexanoic acid (PubChem CID 68729366) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 6-[4-(N-ethylanilino)quinazolin-6-yl]oxyhexanoic acid.

Molecular Properties

Compound Name6-[4-(N-ethylanilino)quinazolin-6-yl]oxyhexanoic acid
PubChem CID68729366
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name6-[4-(N-ethylanilino)quinazolin-6-yl]oxyhexanoic acid
SMILESCCN(c1ccccc1)c1ncnc2ccc(OCCCCCC(=O)O)cc12
InChIInChI=1S/C22H25N3O3/c1-2-25(17-9-5-3-6-10-17)22-19-15-18(12-13-20(19)23-16-24-22)28-14-8-4-7-11-21(26)27/h3,5-6,9-10,12-13,15-16H,2,4,7-8,11,14H2,1H3,(H,26,27)
InChIKeyCGQPQUMJUPHUFI-UHFFFAOYSA-N
XLogP4.81
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[3-[[4-(N-ethylanilino)quinazolin-6-yl]amino]-3-oxopropyl]carbamic acid
CID 69463489
(2R)-2-ethyl-7-[4-[4-(N-ethylanilino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenoxy]heptanoic acid
CID 69008639
8-[4-[4-(N-ethylanilino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]anilino]-8-oxooctanoic acid
CID 69164345
7-naphthalen-2-yloxyheptanoic acid
CID 39371628
ethyl 6-[4-(N-ethylanilino)quinazolin-6-yl]imidazo[1,2-a]pyridine-2-carboxylate
CID 168873012
N-[4-(N-ethylanilino)quinazolin-6-yl]-3-[(2-methylsulfonylacetyl)amino]propanamide
CID 69462798
9-phenoxynonanoic acid
CID 15887638
6-(6-methoxyquinolin-4-yl)oxyhexanoic acid
CID 10827290
9-(4-phenylphenoxy)nonanoic acid
CID 66874790
6-[9-(diethylamino)-5-oxobenzo[a]phenoxazin-2-yl]oxyhexanoic acid
CID 10527463
5-[(2-propyl-3H-benzimidazol-5-yl)oxy]pentanoic acid
CID 84816306
4-N,6-N-diethyl-4-N,6-N-diphenylpyrimidine-4,5,6-triamine
CID 22539701

Frequently Asked Questions

What is the IUPAC name of 6-[4-(N-ethylanilino)quinazolin-6-yl]oxyhexanoic acid?
The IUPAC name of 6-[4-(N-ethylanilino)quinazolin-6-yl]oxyhexanoic acid (CID 68729366) is 6-[4-(N-ethylanilino)quinazolin-6-yl]oxyhexanoic acid.
What is the SMILES notation for 6-[4-(N-ethylanilino)quinazolin-6-yl]oxyhexanoic acid?
The canonical SMILES for 6-[4-(N-ethylanilino)quinazolin-6-yl]oxyhexanoic acid is CCN(c1ccccc1)c1ncnc2ccc(OCCCCCC(=O)O)cc12.
What is the InChIKey of 6-[4-(N-ethylanilino)quinazolin-6-yl]oxyhexanoic acid?
The InChIKey is CGQPQUMJUPHUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-2-25(17-9-5-3-6-10-17)22-19-15-18(12-13-20(19)23-16-24-22)28-14-8-4-7-11-21(26)27/h3,5-6,9-10,12-13,15-16H,2,4,7-8,11,14H2,1H3,(H,26,27).
What are the key properties of 6-[4-(N-ethylanilino)quinazolin-6-yl]oxyhexanoic acid?
6-[4-(N-ethylanilino)quinazolin-6-yl]oxyhexanoic acid has a molecular weight of 379.46 g/mol, XLogP of 4.81, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(N-ethylanilino)quinazolin-6-yl]oxyhexanoic acid is sourced from PubChem (CID 68729366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).