2-[(7-methoxyquinazolin-4-yl)amino]butanoic acid

C13H15N3O3 — CID 21003137

IUPAC2-[(7-methoxyquinazolin-4-yl)amino]butanoic acid
SMILESCCC(Nc1ncnc2cc(OC)ccc12)C(=O)O
InChIInChI=1S/C13H15N3O3/c1-3-10(13(17)18)16-12-9-5-4-8(19-2)6-11(9)14-7-15-12/h4-7,10H,3H2,1-2H3,(H,17,18)(H,14,15,16)
InChIKeyZPMBWJKEJAFWAW-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.91
Rot. Bonds5

About 2-[(7-methoxyquinazolin-4-yl)amino]butanoic acid

2-[(7-methoxyquinazolin-4-yl)amino]butanoic acid (PubChem CID 21003137) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-[(7-methoxyquinazolin-4-yl)amino]butanoic acid.

Molecular Properties

Compound Name2-[(7-methoxyquinazolin-4-yl)amino]butanoic acid
PubChem CID21003137
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name2-[(7-methoxyquinazolin-4-yl)amino]butanoic acid
SMILESCCC(Nc1ncnc2cc(OC)ccc12)C(=O)O
InChIInChI=1S/C13H15N3O3/c1-3-10(13(17)18)16-12-9-5-4-8(19-2)6-11(9)14-7-15-12/h4-7,10H,3H2,1-2H3,(H,17,18)(H,14,15,16)
InChIKeyZPMBWJKEJAFWAW-UHFFFAOYSA-N
XLogP1.91
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-2-[(6-methoxyquinazolin-4-yl)amino]-4-oxobutanoic acid
CID 21002885
2-[(6-bromoquinazolin-4-yl)amino]butanoic acid
CID 2787397
2-[(6,7-dimethoxyquinazolin-4-yl)amino]butanedioic acid
CID 21002993
2-(7-methoxyquinazolin-4-yl)propanoic acid
CID 105490596
(2R)-2-[(7-carboxyquinazolin-4-yl)amino]butanedioic acid
CID 1414229
2-(7-methoxyquinazolin-4-yl)acetic acid
CID 105471989
2-(quinazolin-4-ylamino)pentanoic acid
CID 3356607
4-methoxy-2-(quinazolin-4-ylamino)butanoic acid
CID 55075952
N',N'-diethyl-N-(7-methoxyquinazolin-4-yl)butane-1,4-diamine
CID 21003124
2-[(7-methoxyisoquinolin-1-yl)amino]butanedioic acid
CID 103756130
2-[(6-methoxypyrimidin-4-yl)amino]butanoic acid
CID 66318731
3-(7-methoxyquinazolin-4-yl)sulfanylpropanoic acid
CID 21003198

Frequently Asked Questions

What is the IUPAC name of 2-[(7-methoxyquinazolin-4-yl)amino]butanoic acid?
The IUPAC name of 2-[(7-methoxyquinazolin-4-yl)amino]butanoic acid (CID 21003137) is 2-[(7-methoxyquinazolin-4-yl)amino]butanoic acid.
What is the SMILES notation for 2-[(7-methoxyquinazolin-4-yl)amino]butanoic acid?
The canonical SMILES for 2-[(7-methoxyquinazolin-4-yl)amino]butanoic acid is CCC(Nc1ncnc2cc(OC)ccc12)C(=O)O.
What is the InChIKey of 2-[(7-methoxyquinazolin-4-yl)amino]butanoic acid?
The InChIKey is ZPMBWJKEJAFWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-3-10(13(17)18)16-12-9-5-4-8(19-2)6-11(9)14-7-15-12/h4-7,10H,3H2,1-2H3,(H,17,18)(H,14,15,16).
What are the key properties of 2-[(7-methoxyquinazolin-4-yl)amino]butanoic acid?
2-[(7-methoxyquinazolin-4-yl)amino]butanoic acid has a molecular weight of 261.28 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-methoxyquinazolin-4-yl)amino]butanoic acid is sourced from PubChem (CID 21003137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).