4-(2-aminopropanoyl)-5-bromo-N,N-diethyl-7-methyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide

C23H29BrN4O2 — CID 169001472

IUPAC4-(2-aminopropanoyl)-5-bromo-N,N-diethyl-7-methyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide
SMILESCCN(CC)C(=O)C1C=C2c3cccc4c3c(c(Br)n4C(=O)C(C)N)CC2N(C)C1
InChIInChI=1S/C23H29BrN4O2/c1-5-27(6-2)23(30)14-10-16-15-8-7-9-18-20(15)17(11-19(16)26(4)12-14)21(24)28(18)22(29)13(3)25/h7-10,13-14,19H,5-6,11-12,25H2,1-4H3
InChIKeyDFCWPZMIPQLEPI-UHFFFAOYSA-N
MW473.42 g/mol
LogP3.13
Rot. Bonds4

About 4-(2-aminopropanoyl)-5-bromo-N,N-diethyl-7-methyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide

4-(2-aminopropanoyl)-5-bromo-N,N-diethyl-7-methyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide (PubChem CID 169001472) has the molecular formula C23H29BrN4O2 and a molecular weight of 473.42 g/mol. Its IUPAC name is 4-(2-aminopropanoyl)-5-bromo-N,N-diethyl-7-methyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide.

Molecular Properties

Compound Name4-(2-aminopropanoyl)-5-bromo-N,N-diethyl-7-methyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide
PubChem CID169001472
Molecular FormulaC23H29BrN4O2
Molecular Weight473.42 g/mol
Exact Mass472.15
IUPAC Name4-(2-aminopropanoyl)-5-bromo-N,N-diethyl-7-methyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide
SMILESCCN(CC)C(=O)C1C=C2c3cccc4c3c(c(Br)n4C(=O)C(C)N)CC2N(C)C1
InChIInChI=1S/C23H29BrN4O2/c1-5-27(6-2)23(30)14-10-16-15-8-7-9-18-20(15)17(11-19(16)26(4)12-14)21(24)28(18)22(29)13(3)25/h7-10,13-14,19H,5-6,11-12,25H2,1-4H3
InChIKeyDFCWPZMIPQLEPI-UHFFFAOYSA-N
XLogP3.13
TPSA71.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.42
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopropanoyl)-5-bromo-N,N-diethyl-7-methyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide?
The IUPAC name of 4-(2-aminopropanoyl)-5-bromo-N,N-diethyl-7-methyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide (CID 169001472) is 4-(2-aminopropanoyl)-5-bromo-N,N-diethyl-7-methyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide.
What is the SMILES notation for 4-(2-aminopropanoyl)-5-bromo-N,N-diethyl-7-methyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide?
The canonical SMILES for 4-(2-aminopropanoyl)-5-bromo-N,N-diethyl-7-methyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide is CCN(CC)C(=O)C1C=C2c3cccc4c3c(c(Br)n4C(=O)C(C)N)CC2N(C)C1.
What is the InChIKey of 4-(2-aminopropanoyl)-5-bromo-N,N-diethyl-7-methyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide?
The InChIKey is DFCWPZMIPQLEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29BrN4O2/c1-5-27(6-2)23(30)14-10-16-15-8-7-9-18-20(15)17(11-19(16)26(4)12-14)21(24)28(18)22(29)13(3)25/h7-10,13-14,19H,5-6,11-12,25H2,1-4H3.
What are the key properties of 4-(2-aminopropanoyl)-5-bromo-N,N-diethyl-7-methyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide?
4-(2-aminopropanoyl)-5-bromo-N,N-diethyl-7-methyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide has a molecular weight of 473.42 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopropanoyl)-5-bromo-N,N-diethyl-7-methyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide is sourced from PubChem (CID 169001472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).