4-[3-(azetidin-1-yl)-2-phenylpropyl]-2-ethylquinazoline-8-carboxamide

C23H26N4O — CID 66714376

IUPAC4-[3-(azetidin-1-yl)-2-phenylpropyl]-2-ethylquinazoline-8-carboxamide
SMILESCCc1nc(CC(CN2CCC2)c2ccccc2)c2cccc(C(N)=O)c2n1
InChIInChI=1S/C23H26N4O/c1-2-21-25-20(18-10-6-11-19(23(24)28)22(18)26-21)14-17(15-27-12-7-13-27)16-8-4-3-5-9-16/h3-6,8-11,17H,2,7,12-15H2,1H3,(H2,24,28)
InChIKeyPSVWDJSMYZACCK-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.32
Rot. Bonds7

About 4-[3-(azetidin-1-yl)-2-phenylpropyl]-2-ethylquinazoline-8-carboxamide

4-[3-(azetidin-1-yl)-2-phenylpropyl]-2-ethylquinazoline-8-carboxamide (PubChem CID 66714376) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 4-[3-(azetidin-1-yl)-2-phenylpropyl]-2-ethylquinazoline-8-carboxamide.

Molecular Properties

Compound Name4-[3-(azetidin-1-yl)-2-phenylpropyl]-2-ethylquinazoline-8-carboxamide
PubChem CID66714376
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name4-[3-(azetidin-1-yl)-2-phenylpropyl]-2-ethylquinazoline-8-carboxamide
SMILESCCc1nc(CC(CN2CCC2)c2ccccc2)c2cccc(C(N)=O)c2n1
InChIInChI=1S/C23H26N4O/c1-2-21-25-20(18-10-6-11-19(23(24)28)22(18)26-21)14-17(15-27-12-7-13-27)16-8-4-3-5-9-16/h3-6,8-11,17H,2,7,12-15H2,1H3,(H2,24,28)
InChIKeyPSVWDJSMYZACCK-UHFFFAOYSA-N
XLogP3.32
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(azetidin-1-yl)-2-phenylpropyl]-2-ethylquinazoline-8-carboxamide?
The IUPAC name of 4-[3-(azetidin-1-yl)-2-phenylpropyl]-2-ethylquinazoline-8-carboxamide (CID 66714376) is 4-[3-(azetidin-1-yl)-2-phenylpropyl]-2-ethylquinazoline-8-carboxamide.
What is the SMILES notation for 4-[3-(azetidin-1-yl)-2-phenylpropyl]-2-ethylquinazoline-8-carboxamide?
The canonical SMILES for 4-[3-(azetidin-1-yl)-2-phenylpropyl]-2-ethylquinazoline-8-carboxamide is CCc1nc(CC(CN2CCC2)c2ccccc2)c2cccc(C(N)=O)c2n1.
What is the InChIKey of 4-[3-(azetidin-1-yl)-2-phenylpropyl]-2-ethylquinazoline-8-carboxamide?
The InChIKey is PSVWDJSMYZACCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-2-21-25-20(18-10-6-11-19(23(24)28)22(18)26-21)14-17(15-27-12-7-13-27)16-8-4-3-5-9-16/h3-6,8-11,17H,2,7,12-15H2,1H3,(H2,24,28).
What are the key properties of 4-[3-(azetidin-1-yl)-2-phenylpropyl]-2-ethylquinazoline-8-carboxamide?
4-[3-(azetidin-1-yl)-2-phenylpropyl]-2-ethylquinazoline-8-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(azetidin-1-yl)-2-phenylpropyl]-2-ethylquinazoline-8-carboxamide is sourced from PubChem (CID 66714376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).