1'-[5-(furan-2-yl)pyrazolidine-3-carbonyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one

C20H23N5O3 — CID 73304969

IUPAC1'-[5-(furan-2-yl)pyrazolidine-3-carbonyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
SMILESO=C1NC2(CCN(C(=O)C3CC(c4ccco4)NN3)CC2)Nc2ccccc21
InChIInChI=1S/C20H23N5O3/c26-18-13-4-1-2-5-14(13)21-20(22-18)7-9-25(10-8-20)19(27)16-12-15(23-24-16)17-6-3-11-28-17/h1-6,11,15-16,21,23-24H,7-10,12H2,(H,22,26)
InChIKeyRCJPLLJCNHRYHS-UHFFFAOYSA-N
MW381.44 g/mol
LogP1.36
Rot. Bonds2

About 1'-[5-(furan-2-yl)pyrazolidine-3-carbonyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one

1'-[5-(furan-2-yl)pyrazolidine-3-carbonyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one (PubChem CID 73304969) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is 1'-[5-(furan-2-yl)pyrazolidine-3-carbonyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-[5-(furan-2-yl)pyrazolidine-3-carbonyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
PubChem CID73304969
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC Name1'-[5-(furan-2-yl)pyrazolidine-3-carbonyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
SMILESO=C1NC2(CCN(C(=O)C3CC(c4ccco4)NN3)CC2)Nc2ccccc21
InChIInChI=1S/C20H23N5O3/c26-18-13-4-1-2-5-14(13)21-20(22-18)7-9-25(10-8-20)19(27)16-12-15(23-24-16)17-6-3-11-28-17/h1-6,11,15-16,21,23-24H,7-10,12H2,(H,22,26)
InChIKeyRCJPLLJCNHRYHS-UHFFFAOYSA-N
XLogP1.36
TPSA98.64 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 51.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1'-[5-(furan-2-yl)pyrazolidine-3-carbonyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one?
The IUPAC name of 1'-[5-(furan-2-yl)pyrazolidine-3-carbonyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one (CID 73304969) is 1'-[5-(furan-2-yl)pyrazolidine-3-carbonyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-[5-(furan-2-yl)pyrazolidine-3-carbonyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-[5-(furan-2-yl)pyrazolidine-3-carbonyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one is O=C1NC2(CCN(C(=O)C3CC(c4ccco4)NN3)CC2)Nc2ccccc21.
What is the InChIKey of 1'-[5-(furan-2-yl)pyrazolidine-3-carbonyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one?
The InChIKey is RCJPLLJCNHRYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c26-18-13-4-1-2-5-14(13)21-20(22-18)7-9-25(10-8-20)19(27)16-12-15(23-24-16)17-6-3-11-28-17/h1-6,11,15-16,21,23-24H,7-10,12H2,(H,22,26).
What are the key properties of 1'-[5-(furan-2-yl)pyrazolidine-3-carbonyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one?
1'-[5-(furan-2-yl)pyrazolidine-3-carbonyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one has a molecular weight of 381.44 g/mol, XLogP of 1.36, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[5-(furan-2-yl)pyrazolidine-3-carbonyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one is sourced from PubChem (CID 73304969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).