3-[(6-methyl-4-phenylquinazolin-2-yl)amino]propanoic acid

C18H17N3O2 — CID 739852

IUPAC3-[(6-methyl-4-phenylquinazolin-2-yl)amino]propanoic acid
SMILESCc1ccc2nc(NCCC(=O)O)nc(-c3ccccc3)c2c1
InChIInChI=1S/C18H17N3O2/c1-12-7-8-15-14(11-12)17(13-5-3-2-4-6-13)21-18(20-15)19-10-9-16(22)23/h2-8,11H,9-10H2,1H3,(H,22,23)(H,19,20,21)
InChIKeyDTPLBMZQZYRCFA-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.49
Rot. Bonds5

About 3-[(6-methyl-4-phenylquinazolin-2-yl)amino]propanoic acid

3-[(6-methyl-4-phenylquinazolin-2-yl)amino]propanoic acid (PubChem CID 739852) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 3-[(6-methyl-4-phenylquinazolin-2-yl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(6-methyl-4-phenylquinazolin-2-yl)amino]propanoic acid
PubChem CID739852
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name3-[(6-methyl-4-phenylquinazolin-2-yl)amino]propanoic acid
SMILESCc1ccc2nc(NCCC(=O)O)nc(-c3ccccc3)c2c1
InChIInChI=1S/C18H17N3O2/c1-12-7-8-15-14(11-12)17(13-5-3-2-4-6-13)21-18(20-15)19-10-9-16(22)23/h2-8,11H,9-10H2,1H3,(H,22,23)(H,19,20,21)
InChIKeyDTPLBMZQZYRCFA-UHFFFAOYSA-N
XLogP3.49
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 ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-methyl-4-phenylquinazolin-2-yl)amino]propanoic acid?
The IUPAC name of 3-[(6-methyl-4-phenylquinazolin-2-yl)amino]propanoic acid (CID 739852) is 3-[(6-methyl-4-phenylquinazolin-2-yl)amino]propanoic acid.
What is the SMILES notation for 3-[(6-methyl-4-phenylquinazolin-2-yl)amino]propanoic acid?
The canonical SMILES for 3-[(6-methyl-4-phenylquinazolin-2-yl)amino]propanoic acid is Cc1ccc2nc(NCCC(=O)O)nc(-c3ccccc3)c2c1.
What is the InChIKey of 3-[(6-methyl-4-phenylquinazolin-2-yl)amino]propanoic acid?
The InChIKey is DTPLBMZQZYRCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-12-7-8-15-14(11-12)17(13-5-3-2-4-6-13)21-18(20-15)19-10-9-16(22)23/h2-8,11H,9-10H2,1H3,(H,22,23)(H,19,20,21).
What are the key properties of 3-[(6-methyl-4-phenylquinazolin-2-yl)amino]propanoic acid?
3-[(6-methyl-4-phenylquinazolin-2-yl)amino]propanoic acid has a molecular weight of 307.35 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-methyl-4-phenylquinazolin-2-yl)amino]propanoic acid is sourced from PubChem (CID 739852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).