4-(4-methoxybutylamino)quinazoline-7-carboxylic acid

C14H17N3O3 — CID 63263517

IUPAC4-(4-methoxybutylamino)quinazoline-7-carboxylic acid
SMILESCOCCCCNc1ncnc2cc(C(=O)O)ccc12
InChIInChI=1S/C14H17N3O3/c1-20-7-3-2-6-15-13-11-5-4-10(14(18)19)8-12(11)16-9-17-13/h4-5,8-9H,2-3,6-7H2,1H3,(H,18,19)(H,15,16,17)
InChIKeySXDDVKWBOUYBJV-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.17
Rot. Bonds7

About 4-(4-methoxybutylamino)quinazoline-7-carboxylic acid

4-(4-methoxybutylamino)quinazoline-7-carboxylic acid (PubChem CID 63263517) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 4-(4-methoxybutylamino)quinazoline-7-carboxylic acid.

Molecular Properties

Compound Name4-(4-methoxybutylamino)quinazoline-7-carboxylic acid
PubChem CID63263517
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name4-(4-methoxybutylamino)quinazoline-7-carboxylic acid
SMILESCOCCCCNc1ncnc2cc(C(=O)O)ccc12
InChIInChI=1S/C14H17N3O3/c1-20-7-3-2-6-15-13-11-5-4-10(14(18)19)8-12(11)16-9-17-13/h4-5,8-9H,2-3,6-7H2,1H3,(H,18,19)(H,15,16,17)
InChIKeySXDDVKWBOUYBJV-UHFFFAOYSA-N
XLogP2.17
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.17
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-(butylamino)quinazoline-7-carboxylic acid
CID 2061676
4-(propylamino)quinazoline-7-carboxylic acid
CID 2061674
4-(2-acetamidoethylamino)quinazoline-7-carboxylic acid
CID 63263209
4-N-(3-methoxypropyl)quinazoline-4,7-diamine
CID 65337295
4-[[(E)-pent-3-enyl]amino]quinazoline-7-carboxylic acid
CID 113465719
4-(2-hydroxypropylamino)quinazoline-7-carboxylic acid
CID 16641767
4-[2-(trifluoromethylsulfanyl)ethylamino]quinazoline-7-carboxylic acid
CID 106429595
4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]quinazoline-7-carboxylic acid
CID 106400993
4-(4-methoxybutylamino)benzoic acid
CID 62232205
4-[[1-(hydroxymethyl)cyclopropyl]methylamino]quinazoline-7-carboxylic acid
CID 115455108
4-[(5-methyl-1,2-oxazol-3-yl)methylamino]quinazoline-7-carboxylic acid
CID 63263557
3-fluoro-4-(4-methoxybutylamino)benzoic acid
CID 62710161

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxybutylamino)quinazoline-7-carboxylic acid?
The IUPAC name of 4-(4-methoxybutylamino)quinazoline-7-carboxylic acid (CID 63263517) is 4-(4-methoxybutylamino)quinazoline-7-carboxylic acid.
What is the SMILES notation for 4-(4-methoxybutylamino)quinazoline-7-carboxylic acid?
The canonical SMILES for 4-(4-methoxybutylamino)quinazoline-7-carboxylic acid is COCCCCNc1ncnc2cc(C(=O)O)ccc12.
What is the InChIKey of 4-(4-methoxybutylamino)quinazoline-7-carboxylic acid?
The InChIKey is SXDDVKWBOUYBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-20-7-3-2-6-15-13-11-5-4-10(14(18)19)8-12(11)16-9-17-13/h4-5,8-9H,2-3,6-7H2,1H3,(H,18,19)(H,15,16,17).
What are the key properties of 4-(4-methoxybutylamino)quinazoline-7-carboxylic acid?
4-(4-methoxybutylamino)quinazoline-7-carboxylic acid has a molecular weight of 275.31 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxybutylamino)quinazoline-7-carboxylic acid is sourced from PubChem (CID 63263517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).