5-[(6,7,8-trimethoxyquinazolin-4-yl)amino]pentanoic acid

C16H21N3O5 — CID 19605807

IUPAC5-[(6,7,8-trimethoxyquinazolin-4-yl)amino]pentanoic acid
SMILESCOc1cc2c(NCCCCC(=O)O)ncnc2c(OC)c1OC
InChIInChI=1S/C16H21N3O5/c1-22-11-8-10-13(15(24-3)14(11)23-2)18-9-19-16(10)17-7-5-4-6-12(20)21/h8-9H,4-7H2,1-3H3,(H,20,21)(H,17,18,19)
InChIKeyVCJHEHUNUJGXEF-UHFFFAOYSA-N
MW335.36 g/mol
LogP2.32
Rot. Bonds9

About 5-[(6,7,8-trimethoxyquinazolin-4-yl)amino]pentanoic acid

5-[(6,7,8-trimethoxyquinazolin-4-yl)amino]pentanoic acid (PubChem CID 19605807) has the molecular formula C16H21N3O5 and a molecular weight of 335.36 g/mol. Its IUPAC name is 5-[(6,7,8-trimethoxyquinazolin-4-yl)amino]pentanoic acid.

Molecular Properties

Compound Name5-[(6,7,8-trimethoxyquinazolin-4-yl)amino]pentanoic acid
PubChem CID19605807
Molecular FormulaC16H21N3O5
Molecular Weight335.36 g/mol
Exact Mass335.15
IUPAC Name5-[(6,7,8-trimethoxyquinazolin-4-yl)amino]pentanoic acid
SMILESCOc1cc2c(NCCCCC(=O)O)ncnc2c(OC)c1OC
InChIInChI=1S/C16H21N3O5/c1-22-11-8-10-13(15(24-3)14(11)23-2)18-9-19-16(10)17-7-5-4-6-12(20)21/h8-9H,4-7H2,1-3H3,(H,20,21)(H,17,18,19)
InChIKeyVCJHEHUNUJGXEF-UHFFFAOYSA-N
XLogP2.32
TPSA102.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(E)-but-2-enedioic acid;5-[(6,7,8-trimethoxyquinazolin-4-yl)amino]pentyl nitrate
CID 166639877
N-benzyl-6,7,8-trimethoxyquinazolin-4-amine
CID 18796773
N-[2-(1H-imidazol-5-yl)ethyl]-6,7,8-trimethoxyquinazolin-4-amine
CID 18796736
6-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]hexanoic acid
CID 22693111
3-methoxy-N'-(6,7,8-trimethoxyquinazolin-4-yl)propanehydrazide
CID 110435791
3-[(8-fluoro-7-methoxyquinazolin-4-yl)amino]propanoic acid
CID 122048149
N-[(4-chlorophenyl)methyl]-6,7,8-trimethoxyquinazolin-4-amine
CID 11710213
6,7,8-trimethoxy-N-[(3-methoxyphenyl)methyl]quinazolin-4-amine
CID 18796791
8-[(3,4,5-trimethoxybenzoyl)amino]octanoic acid
CID 22040273
6-[(3,4,5-trimethoxybenzoyl)amino]hexanoic acid
CID 30627
7-[7-methoxy-4-[2-(4-methoxyphenyl)ethylamino]quinazolin-6-yl]oxyheptanoic acid
CID 68728406
5-[(3-chloro-4,5-dimethoxybenzoyl)amino]pentanoic acid
CID 62032676

Frequently Asked Questions

What is the IUPAC name of 5-[(6,7,8-trimethoxyquinazolin-4-yl)amino]pentanoic acid?
The IUPAC name of 5-[(6,7,8-trimethoxyquinazolin-4-yl)amino]pentanoic acid (CID 19605807) is 5-[(6,7,8-trimethoxyquinazolin-4-yl)amino]pentanoic acid.
What is the SMILES notation for 5-[(6,7,8-trimethoxyquinazolin-4-yl)amino]pentanoic acid?
The canonical SMILES for 5-[(6,7,8-trimethoxyquinazolin-4-yl)amino]pentanoic acid is COc1cc2c(NCCCCC(=O)O)ncnc2c(OC)c1OC.
What is the InChIKey of 5-[(6,7,8-trimethoxyquinazolin-4-yl)amino]pentanoic acid?
The InChIKey is VCJHEHUNUJGXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O5/c1-22-11-8-10-13(15(24-3)14(11)23-2)18-9-19-16(10)17-7-5-4-6-12(20)21/h8-9H,4-7H2,1-3H3,(H,20,21)(H,17,18,19).
What are the key properties of 5-[(6,7,8-trimethoxyquinazolin-4-yl)amino]pentanoic acid?
5-[(6,7,8-trimethoxyquinazolin-4-yl)amino]pentanoic acid has a molecular weight of 335.36 g/mol, XLogP of 2.32, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6,7,8-trimethoxyquinazolin-4-yl)amino]pentanoic acid is sourced from PubChem (CID 19605807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).