N-[2-(diethylamino)ethyl]-4-phenyl-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinoline-8-carboxamide

C24H32N4O — CID 11675548

IUPACN-[2-(diethylamino)ethyl]-4-phenyl-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinoline-8-carboxamide
SMILESCCN(CC)CCNC(=O)c1ccc2c(c1)C1NCCC1C(c1ccccc1)N2
InChIInChI=1S/C24H32N4O/c1-3-28(4-2)15-14-26-24(29)18-10-11-21-20(16-18)23-19(12-13-25-23)22(27-21)17-8-6-5-7-9-17/h5-11,16,19,22-23,25,27H,3-4,12-15H2,1-2H3,(H,26,29)
InChIKeyGPRJLZYCZUPHMP-UHFFFAOYSA-N
MW392.55 g/mol
LogP3.58
Rot. Bonds7

About N-[2-(diethylamino)ethyl]-4-phenyl-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinoline-8-carboxamide

N-[2-(diethylamino)ethyl]-4-phenyl-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinoline-8-carboxamide (PubChem CID 11675548) has the molecular formula C24H32N4O and a molecular weight of 392.55 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-4-phenyl-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinoline-8-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-4-phenyl-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinoline-8-carboxamide
PubChem CID11675548
Molecular FormulaC24H32N4O
Molecular Weight392.55 g/mol
Exact Mass392.26
IUPAC NameN-[2-(diethylamino)ethyl]-4-phenyl-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinoline-8-carboxamide
SMILESCCN(CC)CCNC(=O)c1ccc2c(c1)C1NCCC1C(c1ccccc1)N2
InChIInChI=1S/C24H32N4O/c1-3-28(4-2)15-14-26-24(29)18-10-11-21-20(16-18)23-19(12-13-25-23)22(27-21)17-8-6-5-7-9-17/h5-11,16,19,22-23,25,27H,3-4,12-15H2,1-2H3,(H,26,29)
InChIKeyGPRJLZYCZUPHMP-UHFFFAOYSA-N
XLogP3.58
TPSA56.40 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-4-phenyl-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinoline-8-carboxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-4-phenyl-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinoline-8-carboxamide (CID 11675548) is N-[2-(diethylamino)ethyl]-4-phenyl-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinoline-8-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-4-phenyl-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinoline-8-carboxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-4-phenyl-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinoline-8-carboxamide is CCN(CC)CCNC(=O)c1ccc2c(c1)C1NCCC1C(c1ccccc1)N2.
What is the InChIKey of N-[2-(diethylamino)ethyl]-4-phenyl-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinoline-8-carboxamide?
The InChIKey is GPRJLZYCZUPHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O/c1-3-28(4-2)15-14-26-24(29)18-10-11-21-20(16-18)23-19(12-13-25-23)22(27-21)17-8-6-5-7-9-17/h5-11,16,19,22-23,25,27H,3-4,12-15H2,1-2H3,(H,26,29).
What are the key properties of N-[2-(diethylamino)ethyl]-4-phenyl-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinoline-8-carboxamide?
N-[2-(diethylamino)ethyl]-4-phenyl-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinoline-8-carboxamide has a molecular weight of 392.55 g/mol, XLogP of 3.58, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-4-phenyl-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinoline-8-carboxamide is sourced from PubChem (CID 11675548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).