5-cyclohex-3-en-1-yl-2-piperidin-1-yl-3,7,8,9-tetrahydropyrimido[4,5-b]quinoline-4,6-dione

C22H26N4O2 — CID 135659207

IUPAC5-cyclohex-3-en-1-yl-2-piperidin-1-yl-3,7,8,9-tetrahydropyrimido[4,5-b]quinoline-4,6-dione
SMILESO=C1CCCc2nc3nc(N4CCCCC4)[nH]c(=O)c3c(C3CC=CCC3)c21
InChIInChI=1S/C22H26N4O2/c27-16-11-7-10-15-18(16)17(14-8-3-1-4-9-14)19-20(23-15)24-22(25-21(19)28)26-12-5-2-6-13-26/h1,3,14H,2,4-13H2,(H,23,24,25,28)
InChIKeyVXIHCNXGHPYKLX-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.65
Rot. Bonds2

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

5-cyclohex-3-en-1-yl-2-piperidin-1-yl-3,7,8,9-tetrahydropyrimido[4,5-b]quinoline-4,6-dione (PubChem CID 135659207) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 5-cyclohex-3-en-1-yl-2-piperidin-1-yl-3,7,8,9-tetrahydropyrimido[4,5-b]quinoline-4,6-dione.

Molecular Properties

Compound Name5-cyclohex-3-en-1-yl-2-piperidin-1-yl-3,7,8,9-tetrahydropyrimido[4,5-b]quinoline-4,6-dione
PubChem CID135659207
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name5-cyclohex-3-en-1-yl-2-piperidin-1-yl-3,7,8,9-tetrahydropyrimido[4,5-b]quinoline-4,6-dione
SMILESO=C1CCCc2nc3nc(N4CCCCC4)[nH]c(=O)c3c(C3CC=CCC3)c21
InChIInChI=1S/C22H26N4O2/c27-16-11-7-10-15-18(16)17(14-8-3-1-4-9-14)19-20(23-15)24-22(25-21(19)28)26-12-5-2-6-13-26/h1,3,14H,2,4-13H2,(H,23,24,25,28)
InChIKeyVXIHCNXGHPYKLX-UHFFFAOYSA-N
XLogP3.65
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-cyclohex-3-en-1-yl-2-piperidin-1-yl-3,7,8,9-tetrahydropyrimido[4,5-b]quinoline-4,6-dione with MolForge

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Launch Full Analysis

Related Compounds

5-(4-methylphenyl)-2-piperidin-1-yl-3,7,8,9-tetrahydropyrimido[4,5-b]quinoline-4,6-dione
CID 135659195
5-(2-methylphenyl)-2-piperidin-1-yl-3,7,8,9-tetrahydropyrimido[4,5-b]quinoline-4,6-dione
CID 135659204
(5S)-5-[(1S)-cyclohex-3-en-1-yl]-2-piperidin-1-yl-3,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione
CID 135885326
5-(3-ethoxyphenyl)-2-morpholin-4-yl-3,7,8,9-tetrahydropyrimido[4,5-b]quinoline-4,6-dione
CID 135659187
2-piperidin-1-yl-3H-pteridin-4-one
CID 137198974
5-cyclopentyl-4-hydroxy-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
CID 112569358
2-amino-5-[4-(dimethylamino)phenyl]-3,7,8,9-tetrahydropyrimido[4,5-b]quinoline-4,6-dione
CID 135659168
4-amino-5-(4-nitrophenyl)-2-piperidin-1-yl-8,9-dihydro-7H-pyrimido[4,5-b]quinolin-6-one
CID 16653260
5-phenyl-2-piperidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one
CID 135873029
2,8-di(piperidin-1-yl)-3H-quinazoline-4,5,6-trione
CID 137201206
(5R)-2-piperidin-1-yl-5-pyridin-4-yl-3,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione
CID 135904412
4-amino-5-(2-methoxyphenyl)-2-piperidin-1-yl-8,9-dihydro-7H-pyrimido[4,5-b]quinolin-6-one
CID 16653268

Frequently Asked Questions

What is the IUPAC name of 5-cyclohex-3-en-1-yl-2-piperidin-1-yl-3,7,8,9-tetrahydropyrimido[4,5-b]quinoline-4,6-dione?
The IUPAC name of 5-cyclohex-3-en-1-yl-2-piperidin-1-yl-3,7,8,9-tetrahydropyrimido[4,5-b]quinoline-4,6-dione (CID 135659207) is 5-cyclohex-3-en-1-yl-2-piperidin-1-yl-3,7,8,9-tetrahydropyrimido[4,5-b]quinoline-4,6-dione.
What is the SMILES notation for 5-cyclohex-3-en-1-yl-2-piperidin-1-yl-3,7,8,9-tetrahydropyrimido[4,5-b]quinoline-4,6-dione?
The canonical SMILES for 5-cyclohex-3-en-1-yl-2-piperidin-1-yl-3,7,8,9-tetrahydropyrimido[4,5-b]quinoline-4,6-dione is O=C1CCCc2nc3nc(N4CCCCC4)[nH]c(=O)c3c(C3CC=CCC3)c21.
What is the InChIKey of 5-cyclohex-3-en-1-yl-2-piperidin-1-yl-3,7,8,9-tetrahydropyrimido[4,5-b]quinoline-4,6-dione?
The InChIKey is VXIHCNXGHPYKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c27-16-11-7-10-15-18(16)17(14-8-3-1-4-9-14)19-20(23-15)24-22(25-21(19)28)26-12-5-2-6-13-26/h1,3,14H,2,4-13H2,(H,23,24,25,28).
What are the key properties of 5-cyclohex-3-en-1-yl-2-piperidin-1-yl-3,7,8,9-tetrahydropyrimido[4,5-b]quinoline-4,6-dione?
5-cyclohex-3-en-1-yl-2-piperidin-1-yl-3,7,8,9-tetrahydropyrimido[4,5-b]quinoline-4,6-dione has a molecular weight of 378.48 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohex-3-en-1-yl-2-piperidin-1-yl-3,7,8,9-tetrahydropyrimido[4,5-b]quinoline-4,6-dione is sourced from PubChem (CID 135659207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).