3-[2-carboxyethyl-(2-pyridin-2-ylquinazolin-4-yl)amino]propanoic acid

C19H18N4O4 — CID 59273870

IUPAC3-[2-carboxyethyl-(2-pyridin-2-ylquinazolin-4-yl)amino]propanoic acid
SMILESO=C(O)CCN(CCC(=O)O)c1nc(-c2ccccn2)nc2ccccc12
InChIInChI=1S/C19H18N4O4/c24-16(25)8-11-23(12-9-17(26)27)19-13-5-1-2-6-14(13)21-18(22-19)15-7-3-4-10-20-15/h1-7,10H,8-9,11-12H2,(H,24,25)(H,26,27)
InChIKeyWWXBRQNSMGNOCP-UHFFFAOYSA-N
MW366.38 g/mol
LogP2.45
Rot. Bonds8

About 3-[2-carboxyethyl-(2-pyridin-2-ylquinazolin-4-yl)amino]propanoic acid

3-[2-carboxyethyl-(2-pyridin-2-ylquinazolin-4-yl)amino]propanoic acid (PubChem CID 59273870) has the molecular formula C19H18N4O4 and a molecular weight of 366.38 g/mol. Its IUPAC name is 3-[2-carboxyethyl-(2-pyridin-2-ylquinazolin-4-yl)amino]propanoic acid.

Molecular Properties

Compound Name3-[2-carboxyethyl-(2-pyridin-2-ylquinazolin-4-yl)amino]propanoic acid
PubChem CID59273870
Molecular FormulaC19H18N4O4
Molecular Weight366.38 g/mol
Exact Mass366.13
IUPAC Name3-[2-carboxyethyl-(2-pyridin-2-ylquinazolin-4-yl)amino]propanoic acid
SMILESO=C(O)CCN(CCC(=O)O)c1nc(-c2ccccn2)nc2ccccc12
InChIInChI=1S/C19H18N4O4/c24-16(25)8-11-23(12-9-17(26)27)19-13-5-1-2-6-14(13)21-18(22-19)15-7-3-4-10-20-15/h1-7,10H,8-9,11-12H2,(H,24,25)(H,26,27)
InChIKeyWWXBRQNSMGNOCP-UHFFFAOYSA-N
XLogP2.45
TPSA116.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-carboxyethyl-(2-pyridin-2-ylquinazolin-4-yl)amino]propanoic acid?
The IUPAC name of 3-[2-carboxyethyl-(2-pyridin-2-ylquinazolin-4-yl)amino]propanoic acid (CID 59273870) is 3-[2-carboxyethyl-(2-pyridin-2-ylquinazolin-4-yl)amino]propanoic acid.
What is the SMILES notation for 3-[2-carboxyethyl-(2-pyridin-2-ylquinazolin-4-yl)amino]propanoic acid?
The canonical SMILES for 3-[2-carboxyethyl-(2-pyridin-2-ylquinazolin-4-yl)amino]propanoic acid is O=C(O)CCN(CCC(=O)O)c1nc(-c2ccccn2)nc2ccccc12.
What is the InChIKey of 3-[2-carboxyethyl-(2-pyridin-2-ylquinazolin-4-yl)amino]propanoic acid?
The InChIKey is WWXBRQNSMGNOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O4/c24-16(25)8-11-23(12-9-17(26)27)19-13-5-1-2-6-14(13)21-18(22-19)15-7-3-4-10-20-15/h1-7,10H,8-9,11-12H2,(H,24,25)(H,26,27).
What are the key properties of 3-[2-carboxyethyl-(2-pyridin-2-ylquinazolin-4-yl)amino]propanoic acid?
3-[2-carboxyethyl-(2-pyridin-2-ylquinazolin-4-yl)amino]propanoic acid has a molecular weight of 366.38 g/mol, XLogP of 2.45, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-carboxyethyl-(2-pyridin-2-ylquinazolin-4-yl)amino]propanoic acid is sourced from PubChem (CID 59273870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).