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

C15H19N3O3 — CID 63867859

IUPAC4-(2-butoxyethylamino)quinazoline-2-carboxylic acid
SMILESCCCCOCCNc1nc(C(=O)O)nc2ccccc12
InChIInChI=1S/C15H19N3O3/c1-2-3-9-21-10-8-16-13-11-6-4-5-7-12(11)17-14(18-13)15(19)20/h4-7H,2-3,8-10H2,1H3,(H,19,20)(H,16,17,18)
InChIKeyLRXGLSOOWXUQSA-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.56
Rot. Bonds8

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

4-(2-butoxyethylamino)quinazoline-2-carboxylic acid (PubChem CID 63867859) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 4-(2-butoxyethylamino)quinazoline-2-carboxylic acid.

Molecular Properties

Compound Name4-(2-butoxyethylamino)quinazoline-2-carboxylic acid
PubChem CID63867859
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name4-(2-butoxyethylamino)quinazoline-2-carboxylic acid
SMILESCCCCOCCNc1nc(C(=O)O)nc2ccccc12
InChIInChI=1S/C15H19N3O3/c1-2-3-9-21-10-8-16-13-11-6-4-5-7-12(11)17-14(18-13)15(19)20/h4-7H,2-3,8-10H2,1H3,(H,19,20)(H,16,17,18)
InChIKeyLRXGLSOOWXUQSA-UHFFFAOYSA-N
XLogP2.56
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.56
H-Bond Donors ≤ 52
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-butoxyethoxy)quinazoline-2-carboxylic acid
CID 63867559
4-(4-hydroxypentylamino)quinazoline-2-carboxylic acid
CID 106136485
4-[2-(diethylamino)ethylamino]quinazoline-2-carboxylic acid
CID 62407799
4-(6-hydroxyhexylamino)quinazoline-2-carboxylic acid
CID 107853406
4-(2,2-dimethylpropylamino)quinazoline-2-carboxylic acid
CID 63867718
4-(cyclopentylmethylamino)quinazoline-2-carboxylic acid
CID 63869094
4-[(2-methoxy-2-methylpropyl)amino]quinazoline-2-carboxylic acid
CID 104762210
4-(methylamino)quinazoline-2-carboxylic acid
CID 63867097
N-(3-butoxypropyl)-2-methylquinolin-4-amine
CID 112810282
4-[2-(oxolan-2-yl)ethylamino]quinazoline-2-carboxylic acid
CID 62405853
4-amino-N-(2-butoxyethyl)quinoline-2-carboxamide
CID 63375414
4-N-(2-ethoxyethyl)-2-N-methylquinazoline-2,4-diamine
CID 80792753

Frequently Asked Questions

What is the IUPAC name of 4-(2-butoxyethylamino)quinazoline-2-carboxylic acid?
The IUPAC name of 4-(2-butoxyethylamino)quinazoline-2-carboxylic acid (CID 63867859) is 4-(2-butoxyethylamino)quinazoline-2-carboxylic acid.
What is the SMILES notation for 4-(2-butoxyethylamino)quinazoline-2-carboxylic acid?
The canonical SMILES for 4-(2-butoxyethylamino)quinazoline-2-carboxylic acid is CCCCOCCNc1nc(C(=O)O)nc2ccccc12.
What is the InChIKey of 4-(2-butoxyethylamino)quinazoline-2-carboxylic acid?
The InChIKey is LRXGLSOOWXUQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-2-3-9-21-10-8-16-13-11-6-4-5-7-12(11)17-14(18-13)15(19)20/h4-7H,2-3,8-10H2,1H3,(H,19,20)(H,16,17,18).
What are the key properties of 4-(2-butoxyethylamino)quinazoline-2-carboxylic acid?
4-(2-butoxyethylamino)quinazoline-2-carboxylic acid has a molecular weight of 289.33 g/mol, XLogP of 2.56, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-butoxyethylamino)quinazoline-2-carboxylic acid is sourced from PubChem (CID 63867859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).