3-[propan-2-yl(quinazolin-4-yl)amino]propanoic acid

C14H17N3O2 — CID 60895280

IUPAC3-[propan-2-yl(quinazolin-4-yl)amino]propanoic acid
SMILESCC(C)N(CCC(=O)O)c1ncnc2ccccc12
InChIInChI=1S/C14H17N3O2/c1-10(2)17(8-7-13(18)19)14-11-5-3-4-6-12(11)15-9-16-14/h3-6,9-10H,7-8H2,1-2H3,(H,18,19)
InChIKeyPOQLMDUZRQHJNF-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.32
Rot. Bonds5

About 3-[propan-2-yl(quinazolin-4-yl)amino]propanoic acid

3-[propan-2-yl(quinazolin-4-yl)amino]propanoic acid (PubChem CID 60895280) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-[propan-2-yl(quinazolin-4-yl)amino]propanoic acid.

Molecular Properties

Compound Name3-[propan-2-yl(quinazolin-4-yl)amino]propanoic acid
PubChem CID60895280
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name3-[propan-2-yl(quinazolin-4-yl)amino]propanoic acid
SMILESCC(C)N(CCC(=O)O)c1ncnc2ccccc12
InChIInChI=1S/C14H17N3O2/c1-10(2)17(8-7-13(18)19)14-11-5-3-4-6-12(11)15-9-16-14/h3-6,9-10H,7-8H2,1-2H3,(H,18,19)
InChIKeyPOQLMDUZRQHJNF-UHFFFAOYSA-N
XLogP2.32
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[propan-2-yl(quinazolin-4-yl)amino]acetate
CID 62006483
N-(3-bromopropyl)-N-propan-2-ylquinazolin-4-amine
CID 80674456
1,3-di(propan-2-yl)-1-quinazolin-4-ylurea
CID 122214994
N,N-bis(2-methylpropyl)quinazolin-4-amine;hydrochloride
CID 18590526
4-[methyl(quinazolin-4-yl)amino]butan-2-ol
CID 115658266
2-[prop-2-enyl(quinazolin-4-yl)amino]acetic acid
CID 79264349
3-[1,3-benzothiazol-2-yl(propan-2-yl)amino]propanoic acid
CID 60829716
4-[2,1-benzothiazol-3-yl(propan-2-yl)amino]butanoic acid
CID 66353793
N,N-bis(2-methoxyethyl)quinazolin-4-amine
CID 21104388
2-[methyl(quinazolin-4-yl)amino]-N-naphthalen-1-ylacetamide
CID 17455628
N-butyl-N-ethylquinazolin-4-amine
CID 110433588
3-quinazolin-4-ylsulfanylpropanoic acid
CID 723893

Frequently Asked Questions

What is the IUPAC name of 3-[propan-2-yl(quinazolin-4-yl)amino]propanoic acid?
The IUPAC name of 3-[propan-2-yl(quinazolin-4-yl)amino]propanoic acid (CID 60895280) is 3-[propan-2-yl(quinazolin-4-yl)amino]propanoic acid.
What is the SMILES notation for 3-[propan-2-yl(quinazolin-4-yl)amino]propanoic acid?
The canonical SMILES for 3-[propan-2-yl(quinazolin-4-yl)amino]propanoic acid is CC(C)N(CCC(=O)O)c1ncnc2ccccc12.
What is the InChIKey of 3-[propan-2-yl(quinazolin-4-yl)amino]propanoic acid?
The InChIKey is POQLMDUZRQHJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-10(2)17(8-7-13(18)19)14-11-5-3-4-6-12(11)15-9-16-14/h3-6,9-10H,7-8H2,1-2H3,(H,18,19).
What are the key properties of 3-[propan-2-yl(quinazolin-4-yl)amino]propanoic acid?
3-[propan-2-yl(quinazolin-4-yl)amino]propanoic acid has a molecular weight of 259.31 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[propan-2-yl(quinazolin-4-yl)amino]propanoic acid is sourced from PubChem (CID 60895280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).