6,7,8,9-tetrahydro-1H-pyrimido[4,5-b]quinoline-2,4-dione

C11H11N3O2 — CID 13496018

IUPAC6,7,8,9-tetrahydro-1H-pyrimido[4,5-b]quinoline-2,4-dione
SMILESO=c1[nH]c(=O)c2cc3c(nc2[nH]1)CCCC3
InChIInChI=1S/C11H11N3O2/c15-10-7-5-6-3-1-2-4-8(6)12-9(7)13-11(16)14-10/h5H,1-4H2,(H2,12,13,14,15,16)
InChIKeyOGRIPFHLPJUKEF-UHFFFAOYSA-N
MW217.23 g/mol
LogP0.49
Rot. Bonds

About 6,7,8,9-tetrahydro-1H-pyrimido[4,5-b]quinoline-2,4-dione

6,7,8,9-tetrahydro-1H-pyrimido[4,5-b]quinoline-2,4-dione (PubChem CID 13496018) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 6,7,8,9-tetrahydro-1H-pyrimido[4,5-b]quinoline-2,4-dione.

Molecular Properties

Compound Name6,7,8,9-tetrahydro-1H-pyrimido[4,5-b]quinoline-2,4-dione
PubChem CID13496018
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name6,7,8,9-tetrahydro-1H-pyrimido[4,5-b]quinoline-2,4-dione
SMILESO=c1[nH]c(=O)c2cc3c(nc2[nH]1)CCCC3
InChIInChI=1S/C11H11N3O2/c15-10-7-5-6-3-1-2-4-8(6)12-9(7)13-11(16)14-10/h5H,1-4H2,(H2,12,13,14,15,16)
InChIKeyOGRIPFHLPJUKEF-UHFFFAOYSA-N
XLogP0.49
TPSA78.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6,7,8,9-tetrahydro-1H-pyrimido[4,5-b]quinoline-2,4-dione with MolForge

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Related Compounds

2-Aminoquinoline-3-carboxamide
CID 5200228
2,3-Dihydro-3-(6-methyl-2-pyridinyl)-2-thioxo-4(1H)-quinazolinone
CID 2561763
1,3-Dimethyl-1,2,3,4-tetrahydropyrimido[4,5-b]quinoline-2,4-dione
CID 2785858
N-[[(6-methyl-2-pyridinyl)amino]-oxomethyl]benzamide
CID 5093257
N-[4-(4-Hydroxy-7-methyl-[1,8]naphthyridin-2-yl)-phenyl]-acetamide
CID 10085767
1,3-dimethyl-8-phenyl-8,9-dihydropyrimido[4,5-b]quinoline-2,4,6(1H,3H,7H)-trione
CID 4891701
Tcmdc-123937
CID 317953
2-[(Anilinocarbonyl)amino]-4,6-dimethylnicotinamide
CID 4362481
3-allyl-2-thioxo-2,3,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-4(1H)-one
CID 5389100
2-Phenyl-7-methyl-1,8-naphthyridine-4-ol
CID 5467768
2-Amino-5H-benzo[c][1,5]naphthyridin-6-one
CID 10867569
7-Amino-6-(aminomethyl)-1,3-dimethyl-5-phenylpyrido[2,3-d]pyrimidine-2,4-dione
CID 11529688

Frequently Asked Questions

What is the IUPAC name of 6,7,8,9-tetrahydro-1H-pyrimido[4,5-b]quinoline-2,4-dione?
The IUPAC name of 6,7,8,9-tetrahydro-1H-pyrimido[4,5-b]quinoline-2,4-dione (CID 13496018) is 6,7,8,9-tetrahydro-1H-pyrimido[4,5-b]quinoline-2,4-dione.
What is the SMILES notation for 6,7,8,9-tetrahydro-1H-pyrimido[4,5-b]quinoline-2,4-dione?
The canonical SMILES for 6,7,8,9-tetrahydro-1H-pyrimido[4,5-b]quinoline-2,4-dione is O=c1[nH]c(=O)c2cc3c(nc2[nH]1)CCCC3.
What is the InChIKey of 6,7,8,9-tetrahydro-1H-pyrimido[4,5-b]quinoline-2,4-dione?
The InChIKey is OGRIPFHLPJUKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c15-10-7-5-6-3-1-2-4-8(6)12-9(7)13-11(16)14-10/h5H,1-4H2,(H2,12,13,14,15,16).
What are the key properties of 6,7,8,9-tetrahydro-1H-pyrimido[4,5-b]quinoline-2,4-dione?
6,7,8,9-tetrahydro-1H-pyrimido[4,5-b]quinoline-2,4-dione has a molecular weight of 217.23 g/mol, XLogP of 0.49, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,8,9-tetrahydro-1H-pyrimido[4,5-b]quinoline-2,4-dione is sourced from PubChem (CID 13496018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).