1'-[5-ethyl-4-(morpholin-4-ylmethyl)furan-2-carbonyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one

C24H30N4O4 — CID 46952520

IUPAC1'-[5-ethyl-4-(morpholin-4-ylmethyl)furan-2-carbonyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
SMILESCCc1oc(C(=O)N2CCC3(CC2)NC(=O)c2ccccc2N3)cc1CN1CCOCC1
InChIInChI=1S/C24H30N4O4/c1-2-20-17(16-27-11-13-31-14-12-27)15-21(32-20)23(30)28-9-7-24(8-10-28)25-19-6-4-3-5-18(19)22(29)26-24/h3-6,15,25H,2,7-14,16H2,1H3,(H,26,29)
InChIKeyDMESHRNXPYMFNY-UHFFFAOYSA-N
MW438.53 g/mol
LogP2.46
Rot. Bonds4

About 1'-[5-ethyl-4-(morpholin-4-ylmethyl)furan-2-carbonyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one

1'-[5-ethyl-4-(morpholin-4-ylmethyl)furan-2-carbonyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one (PubChem CID 46952520) has the molecular formula C24H30N4O4 and a molecular weight of 438.53 g/mol. Its IUPAC name is 1'-[5-ethyl-4-(morpholin-4-ylmethyl)furan-2-carbonyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-[5-ethyl-4-(morpholin-4-ylmethyl)furan-2-carbonyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
PubChem CID46952520
Molecular FormulaC24H30N4O4
Molecular Weight438.53 g/mol
Exact Mass438.23
IUPAC Name1'-[5-ethyl-4-(morpholin-4-ylmethyl)furan-2-carbonyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
SMILESCCc1oc(C(=O)N2CCC3(CC2)NC(=O)c2ccccc2N3)cc1CN1CCOCC1
InChIInChI=1S/C24H30N4O4/c1-2-20-17(16-27-11-13-31-14-12-27)15-21(32-20)23(30)28-9-7-24(8-10-28)25-19-6-4-3-5-18(19)22(29)26-24/h3-6,15,25H,2,7-14,16H2,1H3,(H,26,29)
InChIKeyDMESHRNXPYMFNY-UHFFFAOYSA-N
XLogP2.46
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1'-[5-ethyl-4-(morpholin-4-ylmethyl)furan-2-carbonyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one?
The IUPAC name of 1'-[5-ethyl-4-(morpholin-4-ylmethyl)furan-2-carbonyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one (CID 46952520) is 1'-[5-ethyl-4-(morpholin-4-ylmethyl)furan-2-carbonyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-[5-ethyl-4-(morpholin-4-ylmethyl)furan-2-carbonyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-[5-ethyl-4-(morpholin-4-ylmethyl)furan-2-carbonyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one is CCc1oc(C(=O)N2CCC3(CC2)NC(=O)c2ccccc2N3)cc1CN1CCOCC1.
What is the InChIKey of 1'-[5-ethyl-4-(morpholin-4-ylmethyl)furan-2-carbonyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one?
The InChIKey is DMESHRNXPYMFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O4/c1-2-20-17(16-27-11-13-31-14-12-27)15-21(32-20)23(30)28-9-7-24(8-10-28)25-19-6-4-3-5-18(19)22(29)26-24/h3-6,15,25H,2,7-14,16H2,1H3,(H,26,29).
What are the key properties of 1'-[5-ethyl-4-(morpholin-4-ylmethyl)furan-2-carbonyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one?
1'-[5-ethyl-4-(morpholin-4-ylmethyl)furan-2-carbonyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one has a molecular weight of 438.53 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[5-ethyl-4-(morpholin-4-ylmethyl)furan-2-carbonyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one is sourced from PubChem (CID 46952520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).