4-butanoyl-N,N-diethyl-7-methyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide

C24H31N3O2 — CID 166624776

IUPAC4-butanoyl-N,N-diethyl-7-methyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide
SMILESCCCC(=O)n1cc2c3c(cccc31)C1=CC(C(=O)N(CC)CC)CN(C)C1C2
InChIInChI=1S/C24H31N3O2/c1-5-9-22(28)27-15-16-13-21-19(18-10-8-11-20(27)23(16)18)12-17(14-25(21)4)24(29)26(6-2)7-3/h8,10-12,15,17,21H,5-7,9,13-14H2,1-4H3
InChIKeySVRFNPSJPIDUBC-UHFFFAOYSA-N
MW393.53 g/mol
LogP3.82
Rot. Bonds5

About 4-butanoyl-N,N-diethyl-7-methyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide

4-butanoyl-N,N-diethyl-7-methyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide (PubChem CID 166624776) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 4-butanoyl-N,N-diethyl-7-methyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide.

Molecular Properties

Compound Name4-butanoyl-N,N-diethyl-7-methyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide
PubChem CID166624776
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Name4-butanoyl-N,N-diethyl-7-methyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide
SMILESCCCC(=O)n1cc2c3c(cccc31)C1=CC(C(=O)N(CC)CC)CN(C)C1C2
InChIInChI=1S/C24H31N3O2/c1-5-9-22(28)27-15-16-13-21-19(18-10-8-11-20(27)23(16)18)12-17(14-25(21)4)24(29)26(6-2)7-3/h8,10-12,15,17,21H,5-7,9,13-14H2,1-4H3
InChIKeySVRFNPSJPIDUBC-UHFFFAOYSA-N
XLogP3.82
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-butanoyl-N,N-diethyl-7-methyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide?
The IUPAC name of 4-butanoyl-N,N-diethyl-7-methyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide (CID 166624776) is 4-butanoyl-N,N-diethyl-7-methyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide.
What is the SMILES notation for 4-butanoyl-N,N-diethyl-7-methyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide?
The canonical SMILES for 4-butanoyl-N,N-diethyl-7-methyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide is CCCC(=O)n1cc2c3c(cccc31)C1=CC(C(=O)N(CC)CC)CN(C)C1C2.
What is the InChIKey of 4-butanoyl-N,N-diethyl-7-methyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide?
The InChIKey is SVRFNPSJPIDUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-5-9-22(28)27-15-16-13-21-19(18-10-8-11-20(27)23(16)18)12-17(14-25(21)4)24(29)26(6-2)7-3/h8,10-12,15,17,21H,5-7,9,13-14H2,1-4H3.
What are the key properties of 4-butanoyl-N,N-diethyl-7-methyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide?
4-butanoyl-N,N-diethyl-7-methyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide has a molecular weight of 393.53 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butanoyl-N,N-diethyl-7-methyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide is sourced from PubChem (CID 166624776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).