5-(2-methylphenyl)-2-piperidin-1-yl-3,7,8,9-tetrahydropyrimido[4,5-b]quinoline-4,6-dione

C23H24N4O2 — CID 135659204

IUPAC5-(2-methylphenyl)-2-piperidin-1-yl-3,7,8,9-tetrahydropyrimido[4,5-b]quinoline-4,6-dione
SMILESCc1ccccc1-c1c2c(nc3nc(N4CCCCC4)[nH]c(=O)c13)CCCC2=O
InChIInChI=1S/C23H24N4O2/c1-14-8-3-4-9-15(14)18-19-16(10-7-11-17(19)28)24-21-20(18)22(29)26-23(25-21)27-12-5-2-6-13-27/h3-4,8-9H,2,5-7,10-13H2,1H3,(H,24,25,26,29)
InChIKeyWMSVFCSQXPRXEB-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.80
Rot. Bonds2

About 5-(2-methylphenyl)-2-piperidin-1-yl-3,7,8,9-tetrahydropyrimido[4,5-b]quinoline-4,6-dione

5-(2-methylphenyl)-2-piperidin-1-yl-3,7,8,9-tetrahydropyrimido[4,5-b]quinoline-4,6-dione (PubChem CID 135659204) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 5-(2-methylphenyl)-2-piperidin-1-yl-3,7,8,9-tetrahydropyrimido[4,5-b]quinoline-4,6-dione.

Molecular Properties

Compound Name5-(2-methylphenyl)-2-piperidin-1-yl-3,7,8,9-tetrahydropyrimido[4,5-b]quinoline-4,6-dione
PubChem CID135659204
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name5-(2-methylphenyl)-2-piperidin-1-yl-3,7,8,9-tetrahydropyrimido[4,5-b]quinoline-4,6-dione
SMILESCc1ccccc1-c1c2c(nc3nc(N4CCCCC4)[nH]c(=O)c13)CCCC2=O
InChIInChI=1S/C23H24N4O2/c1-14-8-3-4-9-15(14)18-19-16(10-7-11-17(19)28)24-21-20(18)22(29)26-23(25-21)27-12-5-2-6-13-27/h3-4,8-9H,2,5-7,10-13H2,1H3,(H,24,25,26,29)
InChIKeyWMSVFCSQXPRXEB-UHFFFAOYSA-N
XLogP3.80
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylphenyl)-2-piperidin-1-yl-3,7,8,9-tetrahydropyrimido[4,5-b]quinoline-4,6-dione?
The IUPAC name of 5-(2-methylphenyl)-2-piperidin-1-yl-3,7,8,9-tetrahydropyrimido[4,5-b]quinoline-4,6-dione (CID 135659204) is 5-(2-methylphenyl)-2-piperidin-1-yl-3,7,8,9-tetrahydropyrimido[4,5-b]quinoline-4,6-dione.
What is the SMILES notation for 5-(2-methylphenyl)-2-piperidin-1-yl-3,7,8,9-tetrahydropyrimido[4,5-b]quinoline-4,6-dione?
The canonical SMILES for 5-(2-methylphenyl)-2-piperidin-1-yl-3,7,8,9-tetrahydropyrimido[4,5-b]quinoline-4,6-dione is Cc1ccccc1-c1c2c(nc3nc(N4CCCCC4)[nH]c(=O)c13)CCCC2=O.
What is the InChIKey of 5-(2-methylphenyl)-2-piperidin-1-yl-3,7,8,9-tetrahydropyrimido[4,5-b]quinoline-4,6-dione?
The InChIKey is WMSVFCSQXPRXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-14-8-3-4-9-15(14)18-19-16(10-7-11-17(19)28)24-21-20(18)22(29)26-23(25-21)27-12-5-2-6-13-27/h3-4,8-9H,2,5-7,10-13H2,1H3,(H,24,25,26,29).
What are the key properties of 5-(2-methylphenyl)-2-piperidin-1-yl-3,7,8,9-tetrahydropyrimido[4,5-b]quinoline-4,6-dione?
5-(2-methylphenyl)-2-piperidin-1-yl-3,7,8,9-tetrahydropyrimido[4,5-b]quinoline-4,6-dione has a molecular weight of 388.47 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylphenyl)-2-piperidin-1-yl-3,7,8,9-tetrahydropyrimido[4,5-b]quinoline-4,6-dione is sourced from PubChem (CID 135659204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).