7-methoxy-3'-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione

C23H22N4O4 — CID 4877387

IUPAC7-methoxy-3'-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
SMILESCOc1ccc2c(c1)CCCC21NC(=O)N(Cc2cc(=O)n3cc(C)ccc3n2)C1=O
InChIInChI=1S/C23H22N4O4/c1-14-5-8-19-24-16(11-20(28)26(19)12-14)13-27-21(29)23(25-22(27)30)9-3-4-15-10-17(31-2)6-7-18(15)23/h5-8,10-12H,3-4,9,13H2,1-2H3,(H,25,30)
InChIKeyYHLONNVPHYGRHN-UHFFFAOYSA-N
MW418.45 g/mol
LogP2.30
Rot. Bonds3

About 7-methoxy-3'-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione

7-methoxy-3'-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione (PubChem CID 4877387) has the molecular formula C23H22N4O4 and a molecular weight of 418.45 g/mol. Its IUPAC name is 7-methoxy-3'-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name7-methoxy-3'-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
PubChem CID4877387
Molecular FormulaC23H22N4O4
Molecular Weight418.45 g/mol
Exact Mass418.16
IUPAC Name7-methoxy-3'-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
SMILESCOc1ccc2c(c1)CCCC21NC(=O)N(Cc2cc(=O)n3cc(C)ccc3n2)C1=O
InChIInChI=1S/C23H22N4O4/c1-14-5-8-19-24-16(11-20(28)26(19)12-14)13-27-21(29)23(25-22(27)30)9-3-4-15-10-17(31-2)6-7-18(15)23/h5-8,10-12H,3-4,9,13H2,1-2H3,(H,25,30)
InChIKeyYHLONNVPHYGRHN-UHFFFAOYSA-N
XLogP2.30
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3'-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione?
The IUPAC name of 7-methoxy-3'-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione (CID 4877387) is 7-methoxy-3'-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for 7-methoxy-3'-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for 7-methoxy-3'-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione is COc1ccc2c(c1)CCCC21NC(=O)N(Cc2cc(=O)n3cc(C)ccc3n2)C1=O.
What is the InChIKey of 7-methoxy-3'-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione?
The InChIKey is YHLONNVPHYGRHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O4/c1-14-5-8-19-24-16(11-20(28)26(19)12-14)13-27-21(29)23(25-22(27)30)9-3-4-15-10-17(31-2)6-7-18(15)23/h5-8,10-12H,3-4,9,13H2,1-2H3,(H,25,30).
What are the key properties of 7-methoxy-3'-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione?
7-methoxy-3'-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione has a molecular weight of 418.45 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3'-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 4877387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).