2-[ethyl-[1-(4-phenylquinazolin-2-yl)piperidin-4-yl]amino]acetic acid

C23H26N4O2 — CID 122062292

IUPAC2-[ethyl-[1-(4-phenylquinazolin-2-yl)piperidin-4-yl]amino]acetic acid
SMILESCCN(CC(=O)O)C1CCN(c2nc(-c3ccccc3)c3ccccc3n2)CC1
InChIInChI=1S/C23H26N4O2/c1-2-26(16-21(28)29)18-12-14-27(15-13-18)23-24-20-11-7-6-10-19(20)22(25-23)17-8-4-3-5-9-17/h3-11,18H,2,12-16H2,1H3,(H,28,29)
InChIKeyOORQYDOXZXFRBX-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.67
Rot. Bonds6

About 2-[ethyl-[1-(4-phenylquinazolin-2-yl)piperidin-4-yl]amino]acetic acid

2-[ethyl-[1-(4-phenylquinazolin-2-yl)piperidin-4-yl]amino]acetic acid (PubChem CID 122062292) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 2-[ethyl-[1-(4-phenylquinazolin-2-yl)piperidin-4-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[1-(4-phenylquinazolin-2-yl)piperidin-4-yl]amino]acetic acid
PubChem CID122062292
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name2-[ethyl-[1-(4-phenylquinazolin-2-yl)piperidin-4-yl]amino]acetic acid
SMILESCCN(CC(=O)O)C1CCN(c2nc(-c3ccccc3)c3ccccc3n2)CC1
InChIInChI=1S/C23H26N4O2/c1-2-26(16-21(28)29)18-12-14-27(15-13-18)23-24-20-11-7-6-10-19(20)22(25-23)17-8-4-3-5-9-17/h3-11,18H,2,12-16H2,1H3,(H,28,29)
InChIKeyOORQYDOXZXFRBX-UHFFFAOYSA-N
XLogP3.67
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[1-(4-phenylquinazolin-2-yl)piperidin-4-yl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[1-(4-phenylquinazolin-2-yl)piperidin-4-yl]amino]acetic acid (CID 122062292) is 2-[ethyl-[1-(4-phenylquinazolin-2-yl)piperidin-4-yl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[1-(4-phenylquinazolin-2-yl)piperidin-4-yl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[1-(4-phenylquinazolin-2-yl)piperidin-4-yl]amino]acetic acid is CCN(CC(=O)O)C1CCN(c2nc(-c3ccccc3)c3ccccc3n2)CC1.
What is the InChIKey of 2-[ethyl-[1-(4-phenylquinazolin-2-yl)piperidin-4-yl]amino]acetic acid?
The InChIKey is OORQYDOXZXFRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-2-26(16-21(28)29)18-12-14-27(15-13-18)23-24-20-11-7-6-10-19(20)22(25-23)17-8-4-3-5-9-17/h3-11,18H,2,12-16H2,1H3,(H,28,29).
What are the key properties of 2-[ethyl-[1-(4-phenylquinazolin-2-yl)piperidin-4-yl]amino]acetic acid?
2-[ethyl-[1-(4-phenylquinazolin-2-yl)piperidin-4-yl]amino]acetic acid has a molecular weight of 390.49 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[1-(4-phenylquinazolin-2-yl)piperidin-4-yl]amino]acetic acid is sourced from PubChem (CID 122062292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).