3-[2-[(10aR)-2,10a-dimethyl-4-oxo-5,6,6a,8,9,10-hexahydro-3H-pyrido[2,3-h]quinazolin-7-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione

C20H27N5O4 — CID 136816066

IUPAC3-[2-[(10aR)-2,10a-dimethyl-4-oxo-5,6,6a,8,9,10-hexahydro-3H-pyrido[2,3-h]quinazolin-7-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCc1nc2c(c(=O)[nH]1)CCC1N(C(=O)CN3C(=O)NC(C)(C)C3=O)CCC[C@@]21C
InChIInChI=1S/C20H27N5O4/c1-11-21-15-12(16(27)22-11)6-7-13-20(15,4)8-5-9-24(13)14(26)10-25-17(28)19(2,3)23-18(25)29/h13H,5-10H2,1-4H3,(H,23,29)(H,21,22,27)/t13?,20-/m1/s1
InChIKeyAGUYBZLBGZUZBN-LCNBYPMKSA-N
MW401.47 g/mol
LogP0.60
Rot. Bonds2

About 3-[2-[(10aR)-2,10a-dimethyl-4-oxo-5,6,6a,8,9,10-hexahydro-3H-pyrido[2,3-h]quinazolin-7-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione

3-[2-[(10aR)-2,10a-dimethyl-4-oxo-5,6,6a,8,9,10-hexahydro-3H-pyrido[2,3-h]quinazolin-7-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 136816066) has the molecular formula C20H27N5O4 and a molecular weight of 401.47 g/mol. Its IUPAC name is 3-[2-[(10aR)-2,10a-dimethyl-4-oxo-5,6,6a,8,9,10-hexahydro-3H-pyrido[2,3-h]quinazolin-7-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-[(10aR)-2,10a-dimethyl-4-oxo-5,6,6a,8,9,10-hexahydro-3H-pyrido[2,3-h]quinazolin-7-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID136816066
Molecular FormulaC20H27N5O4
Molecular Weight401.47 g/mol
Exact Mass401.21
IUPAC Name3-[2-[(10aR)-2,10a-dimethyl-4-oxo-5,6,6a,8,9,10-hexahydro-3H-pyrido[2,3-h]quinazolin-7-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCc1nc2c(c(=O)[nH]1)CCC1N(C(=O)CN3C(=O)NC(C)(C)C3=O)CCC[C@@]21C
InChIInChI=1S/C20H27N5O4/c1-11-21-15-12(16(27)22-11)6-7-13-20(15,4)8-5-9-24(13)14(26)10-25-17(28)19(2,3)23-18(25)29/h13H,5-10H2,1-4H3,(H,23,29)(H,21,22,27)/t13?,20-/m1/s1
InChIKeyAGUYBZLBGZUZBN-LCNBYPMKSA-N
XLogP0.60
TPSA115.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[2-[(10aR)-2,10a-dimethyl-4-oxo-5,6,6a,8,9,10-hexahydro-3H-pyrido[2,3-h]quinazolin-7-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(10aR)-2,10a-dimethyl-4-oxo-5,6,6a,8,9,10-hexahydro-3H-pyrido[2,3-h]quinazolin-7-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-[(10aR)-2,10a-dimethyl-4-oxo-5,6,6a,8,9,10-hexahydro-3H-pyrido[2,3-h]quinazolin-7-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione (CID 136816066) is 3-[2-[(10aR)-2,10a-dimethyl-4-oxo-5,6,6a,8,9,10-hexahydro-3H-pyrido[2,3-h]quinazolin-7-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-[(10aR)-2,10a-dimethyl-4-oxo-5,6,6a,8,9,10-hexahydro-3H-pyrido[2,3-h]quinazolin-7-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-[(10aR)-2,10a-dimethyl-4-oxo-5,6,6a,8,9,10-hexahydro-3H-pyrido[2,3-h]quinazolin-7-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione is Cc1nc2c(c(=O)[nH]1)CCC1N(C(=O)CN3C(=O)NC(C)(C)C3=O)CCC[C@@]21C.
What is the InChIKey of 3-[2-[(10aR)-2,10a-dimethyl-4-oxo-5,6,6a,8,9,10-hexahydro-3H-pyrido[2,3-h]quinazolin-7-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is AGUYBZLBGZUZBN-LCNBYPMKSA-N. The full InChI is InChI=1S/C20H27N5O4/c1-11-21-15-12(16(27)22-11)6-7-13-20(15,4)8-5-9-24(13)14(26)10-25-17(28)19(2,3)23-18(25)29/h13H,5-10H2,1-4H3,(H,23,29)(H,21,22,27)/t13?,20-/m1/s1.
What are the key properties of 3-[2-[(10aR)-2,10a-dimethyl-4-oxo-5,6,6a,8,9,10-hexahydro-3H-pyrido[2,3-h]quinazolin-7-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[2-[(10aR)-2,10a-dimethyl-4-oxo-5,6,6a,8,9,10-hexahydro-3H-pyrido[2,3-h]quinazolin-7-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 401.47 g/mol, XLogP of 0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(10aR)-2,10a-dimethyl-4-oxo-5,6,6a,8,9,10-hexahydro-3H-pyrido[2,3-h]quinazolin-7-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 136816066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).