9-bromo-N,N-diethyl-6,10-diazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,8,11,13-pentaene-4-carboxamide

C18H20BrN3O — CID 169001496

IUPAC9-bromo-N,N-diethyl-6,10-diazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,8,11,13-pentaene-4-carboxamide
SMILESCCN(CC)C(=O)C1C=C2c3cccc4[nH]c(Br)c(c34)CN2C1
InChIInChI=1S/C18H20BrN3O/c1-3-21(4-2)18(23)11-8-15-12-6-5-7-14-16(12)13(17(19)20-14)10-22(15)9-11/h5-8,11,20H,3-4,9-10H2,1-2H3
InChIKeyVQMNRWBWUSCTGJ-UHFFFAOYSA-N
MW374.28 g/mol
LogP3.59
Rot. Bonds3

About 9-bromo-N,N-diethyl-6,10-diazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,8,11,13-pentaene-4-carboxamide

9-bromo-N,N-diethyl-6,10-diazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,8,11,13-pentaene-4-carboxamide (PubChem CID 169001496) has the molecular formula C18H20BrN3O and a molecular weight of 374.28 g/mol. Its IUPAC name is 9-bromo-N,N-diethyl-6,10-diazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,8,11,13-pentaene-4-carboxamide.

Molecular Properties

Compound Name9-bromo-N,N-diethyl-6,10-diazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,8,11,13-pentaene-4-carboxamide
PubChem CID169001496
Molecular FormulaC18H20BrN3O
Molecular Weight374.28 g/mol
Exact Mass373.08
IUPAC Name9-bromo-N,N-diethyl-6,10-diazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,8,11,13-pentaene-4-carboxamide
SMILESCCN(CC)C(=O)C1C=C2c3cccc4[nH]c(Br)c(c34)CN2C1
InChIInChI=1S/C18H20BrN3O/c1-3-21(4-2)18(23)11-8-15-12-6-5-7-14-16(12)13(17(19)20-14)10-22(15)9-11/h5-8,11,20H,3-4,9-10H2,1-2H3
InChIKeyVQMNRWBWUSCTGJ-UHFFFAOYSA-N
XLogP3.59
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.28
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 9-bromo-N,N-diethyl-6,10-diazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,8,11,13-pentaene-4-carboxamide with MolForge

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Related Compounds

(6aR,9R)-5-bromo-3-deuterio-N,N-diethyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 177094387
CID 167513644
CID 167513644
1-[(9R)-5-bromo-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-N,N-diethylethenamine
CID 167513632
3-[(6aR,9S)-5-bromo-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinolin-9-yl]-1,1-diethylurea
CID 154521131
(6aR,9R)-7-[5-[[(6aR,9R)-7-(3,3,3-trifluoropropyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carbonyl]-ethylamino]pentyl]-5-bromo-N,N-diethyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 172578056
(9R)-5-bromo-6a,7-dimethyl-N-pentan-3-yl-4,6,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide
CID 172577857
N,N-diethyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 3981
(6aR,9R)-N,N-diethyl-6a-methyl-7-prop-2-enyl-4,6,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide
CID 166038736
3-(5-bromo-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl)-1,1-diethylurea
CID 13059859
[(9R)-5-bromo-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-morpholin-4-ylmethanone
CID 166091744
potassium;sodium;(6aR,9R)-N,N-diethyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;hydride;hydrate
CID 174919313
CID 174960263
CID 174960263

Frequently Asked Questions

What is the IUPAC name of 9-bromo-N,N-diethyl-6,10-diazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,8,11,13-pentaene-4-carboxamide?
The IUPAC name of 9-bromo-N,N-diethyl-6,10-diazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,8,11,13-pentaene-4-carboxamide (CID 169001496) is 9-bromo-N,N-diethyl-6,10-diazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,8,11,13-pentaene-4-carboxamide.
What is the SMILES notation for 9-bromo-N,N-diethyl-6,10-diazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,8,11,13-pentaene-4-carboxamide?
The canonical SMILES for 9-bromo-N,N-diethyl-6,10-diazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,8,11,13-pentaene-4-carboxamide is CCN(CC)C(=O)C1C=C2c3cccc4[nH]c(Br)c(c34)CN2C1.
What is the InChIKey of 9-bromo-N,N-diethyl-6,10-diazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,8,11,13-pentaene-4-carboxamide?
The InChIKey is VQMNRWBWUSCTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN3O/c1-3-21(4-2)18(23)11-8-15-12-6-5-7-14-16(12)13(17(19)20-14)10-22(15)9-11/h5-8,11,20H,3-4,9-10H2,1-2H3.
What are the key properties of 9-bromo-N,N-diethyl-6,10-diazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,8,11,13-pentaene-4-carboxamide?
9-bromo-N,N-diethyl-6,10-diazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,8,11,13-pentaene-4-carboxamide has a molecular weight of 374.28 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-N,N-diethyl-6,10-diazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,8,11,13-pentaene-4-carboxamide is sourced from PubChem (CID 169001496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).