2-[(2-phenylquinazolin-4-yl)amino]butanoic acid

C18H17N3O2 — CID 2789490

IUPAC2-[(2-phenylquinazolin-4-yl)amino]butanoic acid
SMILESCCC(Nc1nc(-c2ccccc2)nc2ccccc12)C(=O)O
InChIInChI=1S/C18H17N3O2/c1-2-14(18(22)23)19-17-13-10-6-7-11-15(13)20-16(21-17)12-8-4-3-5-9-12/h3-11,14H,2H2,1H3,(H,22,23)(H,19,20,21)
InChIKeyRIESFNLXSIWHHP-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.57
Rot. Bonds5

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

2-[(2-phenylquinazolin-4-yl)amino]butanoic acid (PubChem CID 2789490) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 2-[(2-phenylquinazolin-4-yl)amino]butanoic acid.

Molecular Properties

Compound Name2-[(2-phenylquinazolin-4-yl)amino]butanoic acid
PubChem CID2789490
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name2-[(2-phenylquinazolin-4-yl)amino]butanoic acid
SMILESCCC(Nc1nc(-c2ccccc2)nc2ccccc12)C(=O)O
InChIInChI=1S/C18H17N3O2/c1-2-14(18(22)23)19-17-13-10-6-7-11-15(13)20-16(21-17)12-8-4-3-5-9-12/h3-11,14H,2H2,1H3,(H,22,23)(H,19,20,21)
InChIKeyRIESFNLXSIWHHP-UHFFFAOYSA-N
XLogP3.57
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-phenylquinazolin-4-yl)amino]butanoic acid?
The IUPAC name of 2-[(2-phenylquinazolin-4-yl)amino]butanoic acid (CID 2789490) is 2-[(2-phenylquinazolin-4-yl)amino]butanoic acid.
What is the SMILES notation for 2-[(2-phenylquinazolin-4-yl)amino]butanoic acid?
The canonical SMILES for 2-[(2-phenylquinazolin-4-yl)amino]butanoic acid is CCC(Nc1nc(-c2ccccc2)nc2ccccc12)C(=O)O.
What is the InChIKey of 2-[(2-phenylquinazolin-4-yl)amino]butanoic acid?
The InChIKey is RIESFNLXSIWHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-2-14(18(22)23)19-17-13-10-6-7-11-15(13)20-16(21-17)12-8-4-3-5-9-12/h3-11,14H,2H2,1H3,(H,22,23)(H,19,20,21).
What are the key properties of 2-[(2-phenylquinazolin-4-yl)amino]butanoic acid?
2-[(2-phenylquinazolin-4-yl)amino]butanoic acid has a molecular weight of 307.35 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-phenylquinazolin-4-yl)amino]butanoic acid is sourced from PubChem (CID 2789490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).