6-[6-(2-ethylpiperidin-1-yl)-3,4-dihydro-2H-quinoline-1-carbonyl]-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,4-dione

C23H29N5O3 — CID 166340903

IUPAC6-[6-(2-ethylpiperidin-1-yl)-3,4-dihydro-2H-quinoline-1-carbonyl]-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,4-dione
SMILESCCC1CCCCN1c1ccc2c(c1)CCCN2C(=O)N1Cc2[nH]c(=O)[nH]c(=O)c2C1
InChIInChI=1S/C23H29N5O3/c1-2-16-7-3-4-10-27(16)17-8-9-20-15(12-17)6-5-11-28(20)23(31)26-13-18-19(14-26)24-22(30)25-21(18)29/h8-9,12,16H,2-7,10-11,13-14H2,1H3,(H2,24,25,29,30)
InChIKeyAUCIDCRXHJGWQU-UHFFFAOYSA-N
MW423.52 g/mol
LogP2.72
Rot. Bonds2

About 6-[6-(2-ethylpiperidin-1-yl)-3,4-dihydro-2H-quinoline-1-carbonyl]-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,4-dione

6-[6-(2-ethylpiperidin-1-yl)-3,4-dihydro-2H-quinoline-1-carbonyl]-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,4-dione (PubChem CID 166340903) has the molecular formula C23H29N5O3 and a molecular weight of 423.52 g/mol. Its IUPAC name is 6-[6-(2-ethylpiperidin-1-yl)-3,4-dihydro-2H-quinoline-1-carbonyl]-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[6-(2-ethylpiperidin-1-yl)-3,4-dihydro-2H-quinoline-1-carbonyl]-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,4-dione
PubChem CID166340903
Molecular FormulaC23H29N5O3
Molecular Weight423.52 g/mol
Exact Mass423.23
IUPAC Name6-[6-(2-ethylpiperidin-1-yl)-3,4-dihydro-2H-quinoline-1-carbonyl]-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,4-dione
SMILESCCC1CCCCN1c1ccc2c(c1)CCCN2C(=O)N1Cc2[nH]c(=O)[nH]c(=O)c2C1
InChIInChI=1S/C23H29N5O3/c1-2-16-7-3-4-10-27(16)17-8-9-20-15(12-17)6-5-11-28(20)23(31)26-13-18-19(14-26)24-22(30)25-21(18)29/h8-9,12,16H,2-7,10-11,13-14H2,1H3,(H2,24,25,29,30)
InChIKeyAUCIDCRXHJGWQU-UHFFFAOYSA-N
XLogP2.72
TPSA92.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-[6-(2-ethylpiperidin-1-yl)-3,4-dihydro-2H-quinoline-1-carbonyl]-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[6-(2-ethylpiperidin-1-yl)-3,4-dihydro-2H-quinoline-1-carbonyl]-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,4-dione?
The IUPAC name of 6-[6-(2-ethylpiperidin-1-yl)-3,4-dihydro-2H-quinoline-1-carbonyl]-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,4-dione (CID 166340903) is 6-[6-(2-ethylpiperidin-1-yl)-3,4-dihydro-2H-quinoline-1-carbonyl]-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-[6-(2-ethylpiperidin-1-yl)-3,4-dihydro-2H-quinoline-1-carbonyl]-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-[6-(2-ethylpiperidin-1-yl)-3,4-dihydro-2H-quinoline-1-carbonyl]-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,4-dione is CCC1CCCCN1c1ccc2c(c1)CCCN2C(=O)N1Cc2[nH]c(=O)[nH]c(=O)c2C1.
What is the InChIKey of 6-[6-(2-ethylpiperidin-1-yl)-3,4-dihydro-2H-quinoline-1-carbonyl]-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,4-dione?
The InChIKey is AUCIDCRXHJGWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O3/c1-2-16-7-3-4-10-27(16)17-8-9-20-15(12-17)6-5-11-28(20)23(31)26-13-18-19(14-26)24-22(30)25-21(18)29/h8-9,12,16H,2-7,10-11,13-14H2,1H3,(H2,24,25,29,30).
What are the key properties of 6-[6-(2-ethylpiperidin-1-yl)-3,4-dihydro-2H-quinoline-1-carbonyl]-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,4-dione?
6-[6-(2-ethylpiperidin-1-yl)-3,4-dihydro-2H-quinoline-1-carbonyl]-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,4-dione has a molecular weight of 423.52 g/mol, XLogP of 2.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(2-ethylpiperidin-1-yl)-3,4-dihydro-2H-quinoline-1-carbonyl]-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,4-dione is sourced from PubChem (CID 166340903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).