2-cyclohexyl-N-[2-(dimethylamino)ethyl]-N-ethyl-3-oxo-1H-pyrrolo[3,4-b]quinoline-9-carboxamide

C24H32N4O2 — CID 50791828

IUPAC2-cyclohexyl-N-[2-(dimethylamino)ethyl]-N-ethyl-3-oxo-1H-pyrrolo[3,4-b]quinoline-9-carboxamide
SMILESCCN(CCN(C)C)C(=O)c1c2c(nc3ccccc13)C(=O)N(C1CCCCC1)C2
InChIInChI=1S/C24H32N4O2/c1-4-27(15-14-26(2)3)23(29)21-18-12-8-9-13-20(18)25-22-19(21)16-28(24(22)30)17-10-6-5-7-11-17/h8-9,12-13,17H,4-7,10-11,14-16H2,1-3H3
InChIKeyMHPXNHFDDAYPQW-UHFFFAOYSA-N
MW408.55 g/mol
LogP3.55
Rot. Bonds6

About 2-cyclohexyl-N-[2-(dimethylamino)ethyl]-N-ethyl-3-oxo-1H-pyrrolo[3,4-b]quinoline-9-carboxamide

2-cyclohexyl-N-[2-(dimethylamino)ethyl]-N-ethyl-3-oxo-1H-pyrrolo[3,4-b]quinoline-9-carboxamide (PubChem CID 50791828) has the molecular formula C24H32N4O2 and a molecular weight of 408.55 g/mol. Its IUPAC name is 2-cyclohexyl-N-[2-(dimethylamino)ethyl]-N-ethyl-3-oxo-1H-pyrrolo[3,4-b]quinoline-9-carboxamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[2-(dimethylamino)ethyl]-N-ethyl-3-oxo-1H-pyrrolo[3,4-b]quinoline-9-carboxamide
PubChem CID50791828
Molecular FormulaC24H32N4O2
Molecular Weight408.55 g/mol
Exact Mass408.25
IUPAC Name2-cyclohexyl-N-[2-(dimethylamino)ethyl]-N-ethyl-3-oxo-1H-pyrrolo[3,4-b]quinoline-9-carboxamide
SMILESCCN(CCN(C)C)C(=O)c1c2c(nc3ccccc13)C(=O)N(C1CCCCC1)C2
InChIInChI=1S/C24H32N4O2/c1-4-27(15-14-26(2)3)23(29)21-18-12-8-9-13-20(18)25-22-19(21)16-28(24(22)30)17-10-6-5-7-11-17/h8-9,12-13,17H,4-7,10-11,14-16H2,1-3H3
InChIKeyMHPXNHFDDAYPQW-UHFFFAOYSA-N
XLogP3.55
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[2-(dimethylamino)ethyl]-N-ethyl-3-oxo-1H-pyrrolo[3,4-b]quinoline-9-carboxamide?
The IUPAC name of 2-cyclohexyl-N-[2-(dimethylamino)ethyl]-N-ethyl-3-oxo-1H-pyrrolo[3,4-b]quinoline-9-carboxamide (CID 50791828) is 2-cyclohexyl-N-[2-(dimethylamino)ethyl]-N-ethyl-3-oxo-1H-pyrrolo[3,4-b]quinoline-9-carboxamide.
What is the SMILES notation for 2-cyclohexyl-N-[2-(dimethylamino)ethyl]-N-ethyl-3-oxo-1H-pyrrolo[3,4-b]quinoline-9-carboxamide?
The canonical SMILES for 2-cyclohexyl-N-[2-(dimethylamino)ethyl]-N-ethyl-3-oxo-1H-pyrrolo[3,4-b]quinoline-9-carboxamide is CCN(CCN(C)C)C(=O)c1c2c(nc3ccccc13)C(=O)N(C1CCCCC1)C2.
What is the InChIKey of 2-cyclohexyl-N-[2-(dimethylamino)ethyl]-N-ethyl-3-oxo-1H-pyrrolo[3,4-b]quinoline-9-carboxamide?
The InChIKey is MHPXNHFDDAYPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O2/c1-4-27(15-14-26(2)3)23(29)21-18-12-8-9-13-20(18)25-22-19(21)16-28(24(22)30)17-10-6-5-7-11-17/h8-9,12-13,17H,4-7,10-11,14-16H2,1-3H3.
What are the key properties of 2-cyclohexyl-N-[2-(dimethylamino)ethyl]-N-ethyl-3-oxo-1H-pyrrolo[3,4-b]quinoline-9-carboxamide?
2-cyclohexyl-N-[2-(dimethylamino)ethyl]-N-ethyl-3-oxo-1H-pyrrolo[3,4-b]quinoline-9-carboxamide has a molecular weight of 408.55 g/mol, XLogP of 3.55, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[2-(dimethylamino)ethyl]-N-ethyl-3-oxo-1H-pyrrolo[3,4-b]quinoline-9-carboxamide is sourced from PubChem (CID 50791828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).