4-(2-butoxyethoxy)quinazoline-2-carboxylic acid

C15H18N2O4 — CID 63867559

IUPAC4-(2-butoxyethoxy)quinazoline-2-carboxylic acid
SMILESCCCCOCCOc1nc(C(=O)O)nc2ccccc12
InChIInChI=1S/C15H18N2O4/c1-2-3-8-20-9-10-21-14-11-6-4-5-7-12(11)16-13(17-14)15(18)19/h4-7H,2-3,8-10H2,1H3,(H,18,19)
InChIKeyXXGAPGWRZAKFJR-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.52
Rot. Bonds8

About 4-(2-butoxyethoxy)quinazoline-2-carboxylic acid

4-(2-butoxyethoxy)quinazoline-2-carboxylic acid (PubChem CID 63867559) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 4-(2-butoxyethoxy)quinazoline-2-carboxylic acid.

Molecular Properties

Compound Name4-(2-butoxyethoxy)quinazoline-2-carboxylic acid
PubChem CID63867559
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name4-(2-butoxyethoxy)quinazoline-2-carboxylic acid
SMILESCCCCOCCOc1nc(C(=O)O)nc2ccccc12
InChIInChI=1S/C15H18N2O4/c1-2-3-8-20-9-10-21-14-11-6-4-5-7-12(11)16-13(17-14)15(18)19/h4-7H,2-3,8-10H2,1H3,(H,18,19)
InChIKeyXXGAPGWRZAKFJR-UHFFFAOYSA-N
XLogP2.52
TPSA81.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.52
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

4-[2-(2-methoxyethoxy)ethoxy]quinazoline-2-carboxylic acid
CID 104560492
4-ethoxyquinazoline-2-carboxylic acid
CID 63869088
4-(2-butoxyethylamino)quinazoline-2-carboxylic acid
CID 63867859
4-(4,4,4-trifluorobutoxy)quinazoline-2-carboxylic acid
CID 82781639
4-cyclopentyloxyquinazoline-2-carboxylic acid
CID 55251807
3-bromo-2-(2-butoxyethoxy)benzoic acid
CID 54956549
1-butoxybutane;2-hydroxybenzoic acid
CID 160692059
4-butoxyquinoline-3-carboxylic acid
CID 61339357
1-[2-[2-(2-butoxyethoxy)ethoxy]phenyl]ethanone
CID 43793701
4-amino-N-(2-butoxyethyl)quinoline-2-carboxamide
CID 63375414
4-hexoxy-N-methylquinazolin-2-amine
CID 80860948
3-(2-butoxyethoxy)pyridine-2-carboxylic acid
CID 54958022

Frequently Asked Questions

What is the IUPAC name of 4-(2-butoxyethoxy)quinazoline-2-carboxylic acid?
The IUPAC name of 4-(2-butoxyethoxy)quinazoline-2-carboxylic acid (CID 63867559) is 4-(2-butoxyethoxy)quinazoline-2-carboxylic acid.
What is the SMILES notation for 4-(2-butoxyethoxy)quinazoline-2-carboxylic acid?
The canonical SMILES for 4-(2-butoxyethoxy)quinazoline-2-carboxylic acid is CCCCOCCOc1nc(C(=O)O)nc2ccccc12.
What is the InChIKey of 4-(2-butoxyethoxy)quinazoline-2-carboxylic acid?
The InChIKey is XXGAPGWRZAKFJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-2-3-8-20-9-10-21-14-11-6-4-5-7-12(11)16-13(17-14)15(18)19/h4-7H,2-3,8-10H2,1H3,(H,18,19).
What are the key properties of 4-(2-butoxyethoxy)quinazoline-2-carboxylic acid?
4-(2-butoxyethoxy)quinazoline-2-carboxylic acid has a molecular weight of 290.32 g/mol, XLogP of 2.52, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-butoxyethoxy)quinazoline-2-carboxylic acid is sourced from PubChem (CID 63867559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).