5-(3-ethoxyphenyl)-2-morpholin-4-yl-3,7,8,9-tetrahydropyrimido[4,5-b]quinoline-4,6-dione

C23H24N4O4 — CID 135659187

IUPAC5-(3-ethoxyphenyl)-2-morpholin-4-yl-3,7,8,9-tetrahydropyrimido[4,5-b]quinoline-4,6-dione
SMILESCCOc1cccc(-c2c3c(nc4nc(N5CCOCC5)[nH]c(=O)c24)CCCC3=O)c1
InChIInChI=1S/C23H24N4O4/c1-2-31-15-6-3-5-14(13-15)18-19-16(7-4-8-17(19)28)24-21-20(18)22(29)26-23(25-21)27-9-11-30-12-10-27/h3,5-6,13H,2,4,7-12H2,1H3,(H,24,25,26,29)
InChIKeyMETRYYYMECAFJG-UHFFFAOYSA-N
MW420.47 g/mol
LogP2.74
Rot. Bonds4

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

5-(3-ethoxyphenyl)-2-morpholin-4-yl-3,7,8,9-tetrahydropyrimido[4,5-b]quinoline-4,6-dione (PubChem CID 135659187) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is 5-(3-ethoxyphenyl)-2-morpholin-4-yl-3,7,8,9-tetrahydropyrimido[4,5-b]quinoline-4,6-dione.

Molecular Properties

Compound Name5-(3-ethoxyphenyl)-2-morpholin-4-yl-3,7,8,9-tetrahydropyrimido[4,5-b]quinoline-4,6-dione
PubChem CID135659187
Molecular FormulaC23H24N4O4
Molecular Weight420.47 g/mol
Exact Mass420.18
IUPAC Name5-(3-ethoxyphenyl)-2-morpholin-4-yl-3,7,8,9-tetrahydropyrimido[4,5-b]quinoline-4,6-dione
SMILESCCOc1cccc(-c2c3c(nc4nc(N5CCOCC5)[nH]c(=O)c24)CCCC3=O)c1
InChIInChI=1S/C23H24N4O4/c1-2-31-15-6-3-5-14(13-15)18-19-16(7-4-8-17(19)28)24-21-20(18)22(29)26-23(25-21)27-9-11-30-12-10-27/h3,5-6,13H,2,4,7-12H2,1H3,(H,24,25,26,29)
InChIKeyMETRYYYMECAFJG-UHFFFAOYSA-N
XLogP2.74
TPSA97.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-(3-ethoxyphenyl)-2-morpholin-4-yl-3,7,8,9-tetrahydropyrimido[4,5-b]quinoline-4,6-dione with MolForge

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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
9-methyl-3-morpholin-4-yl-2,8,9,10-tetrahydropyrimido[4,5-c]isoquinoline-1,7-dione
CID 135646723
2-amino-5-[4-(dimethylamino)phenyl]-3,7,8,9-tetrahydropyrimido[4,5-b]quinoline-4,6-dione
CID 135659168
5-cyclohex-3-en-1-yl-2-piperidin-1-yl-3,7,8,9-tetrahydropyrimido[4,5-b]quinoline-4,6-dione
CID 135659207
6-(3-ethoxyphenyl)-3,4-dihydro-2H-naphthalen-1-one
CID 169410330
4-[5-(3-butoxyphenyl)-1H-1,2,4-triazol-3-yl]morpholine
CID 162629868
3-(bromomethyl)-6-(3-ethoxyphenyl)-1H-pyridin-2-one
CID 82518417
5-(1,3-benzodioxol-5-yl)-2-morpholin-4-yl-3H-pyrido[2,3-d]pyrimidin-4-one
CID 135645683
[4-(2-morpholin-4-yl-4-oxo-3H-pyrido[2,3-d]pyrimidin-5-yl)phenyl] benzoate
CID 135894972
7-methyl-6-(4-methylphenyl)-2-morpholin-4-yl-5-sulfanylidene-3H-pyrimido[4,5-d]pyrimidin-4-one
CID 135994312
2-[4-(3-methoxyphenyl)piperazin-1-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 135644892

Frequently Asked Questions

What is the IUPAC name of 5-(3-ethoxyphenyl)-2-morpholin-4-yl-3,7,8,9-tetrahydropyrimido[4,5-b]quinoline-4,6-dione?
The IUPAC name of 5-(3-ethoxyphenyl)-2-morpholin-4-yl-3,7,8,9-tetrahydropyrimido[4,5-b]quinoline-4,6-dione (CID 135659187) is 5-(3-ethoxyphenyl)-2-morpholin-4-yl-3,7,8,9-tetrahydropyrimido[4,5-b]quinoline-4,6-dione.
What is the SMILES notation for 5-(3-ethoxyphenyl)-2-morpholin-4-yl-3,7,8,9-tetrahydropyrimido[4,5-b]quinoline-4,6-dione?
The canonical SMILES for 5-(3-ethoxyphenyl)-2-morpholin-4-yl-3,7,8,9-tetrahydropyrimido[4,5-b]quinoline-4,6-dione is CCOc1cccc(-c2c3c(nc4nc(N5CCOCC5)[nH]c(=O)c24)CCCC3=O)c1.
What is the InChIKey of 5-(3-ethoxyphenyl)-2-morpholin-4-yl-3,7,8,9-tetrahydropyrimido[4,5-b]quinoline-4,6-dione?
The InChIKey is METRYYYMECAFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4/c1-2-31-15-6-3-5-14(13-15)18-19-16(7-4-8-17(19)28)24-21-20(18)22(29)26-23(25-21)27-9-11-30-12-10-27/h3,5-6,13H,2,4,7-12H2,1H3,(H,24,25,26,29).
What are the key properties of 5-(3-ethoxyphenyl)-2-morpholin-4-yl-3,7,8,9-tetrahydropyrimido[4,5-b]quinoline-4,6-dione?
5-(3-ethoxyphenyl)-2-morpholin-4-yl-3,7,8,9-tetrahydropyrimido[4,5-b]quinoline-4,6-dione has a molecular weight of 420.47 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethoxyphenyl)-2-morpholin-4-yl-3,7,8,9-tetrahydropyrimido[4,5-b]quinoline-4,6-dione is sourced from PubChem (CID 135659187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).