4-heptoxyquinazoline-7-carboxylic acid

C16H20N2O3 — CID 63461088

IUPAC4-heptoxyquinazoline-7-carboxylic acid
SMILESCCCCCCCOc1ncnc2cc(C(=O)O)ccc12
InChIInChI=1S/C16H20N2O3/c1-2-3-4-5-6-9-21-15-13-8-7-12(16(19)20)10-14(13)17-11-18-15/h7-8,10-11H,2-6,9H2,1H3,(H,19,20)
InChIKeyUCOCWONXRUILMY-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.68
Rot. Bonds8

About 4-heptoxyquinazoline-7-carboxylic acid

4-heptoxyquinazoline-7-carboxylic acid (PubChem CID 63461088) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-heptoxyquinazoline-7-carboxylic acid.

Molecular Properties

Compound Name4-heptoxyquinazoline-7-carboxylic acid
PubChem CID63461088
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name4-heptoxyquinazoline-7-carboxylic acid
SMILESCCCCCCCOc1ncnc2cc(C(=O)O)ccc12
InChIInChI=1S/C16H20N2O3/c1-2-3-4-5-6-9-21-15-13-8-7-12(16(19)20)10-14(13)17-11-18-15/h7-8,10-11H,2-6,9H2,1H3,(H,19,20)
InChIKeyUCOCWONXRUILMY-UHFFFAOYSA-N
XLogP3.68
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-propoxyethoxy)quinazoline-7-carboxylic acid
CID 63684344
4-(2-ethoxyethoxy)quinazoline-7-carboxylic acid
CID 63263409
4-(2-cyclopropylethoxy)quinazoline-7-carboxylic acid
CID 106200364
4-phenylmethoxyquinazoline-7-carboxylic acid
CID 63262504
4-(butylamino)quinazoline-7-carboxylic acid
CID 2061676
2-octadecoxyterephthalic acid
CID 142668937
3,4-di(tridecoxy)benzoic acid
CID 66940296
4-(heptan-2-ylamino)quinazoline-7-carboxylic acid
CID 63263541
2-pentoxyterephthalic acid
CID 86182031
4-(thiophen-2-ylmethoxy)quinazoline-7-carboxylic acid
CID 63263288
4-(propylamino)quinazoline-7-carboxylic acid
CID 2061674
ethane;4-octoxybenzoic acid
CID 144740890

Frequently Asked Questions

What is the IUPAC name of 4-heptoxyquinazoline-7-carboxylic acid?
The IUPAC name of 4-heptoxyquinazoline-7-carboxylic acid (CID 63461088) is 4-heptoxyquinazoline-7-carboxylic acid.
What is the SMILES notation for 4-heptoxyquinazoline-7-carboxylic acid?
The canonical SMILES for 4-heptoxyquinazoline-7-carboxylic acid is CCCCCCCOc1ncnc2cc(C(=O)O)ccc12.
What is the InChIKey of 4-heptoxyquinazoline-7-carboxylic acid?
The InChIKey is UCOCWONXRUILMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-2-3-4-5-6-9-21-15-13-8-7-12(16(19)20)10-14(13)17-11-18-15/h7-8,10-11H,2-6,9H2,1H3,(H,19,20).
What are the key properties of 4-heptoxyquinazoline-7-carboxylic acid?
4-heptoxyquinazoline-7-carboxylic acid has a molecular weight of 288.35 g/mol, XLogP of 3.68, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-heptoxyquinazoline-7-carboxylic acid is sourced from PubChem (CID 63461088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).