(4R,7R)-10-bromo-4,6-dimethyl-6,11-diazatetracyclo[7.6.1.03,7.012,16]hexadeca-1(16),2,9,12,14-pentaene

C16H17BrN2 — CID 10686947

IUPAC(4R,7R)-10-bromo-4,6-dimethyl-6,11-diazatetracyclo[7.6.1.03,7.012,16]hexadeca-1(16),2,9,12,14-pentaene
SMILESC[C@H]1CN(C)[C@@H]2Cc3c(Br)[nH]c4cccc(c34)C=C21
InChIInChI=1S/C16H17BrN2/c1-9-8-19(2)14-7-12-15-10(6-11(9)14)4-3-5-13(15)18-16(12)17/h3-6,9,14,18H,7-8H2,1-2H3/t9-,14+/m0/s1
InChIKeyIXAAPFHNYACQOU-LKFCYVNXSA-N
MW317.23 g/mol
LogP3.82
Rot. Bonds

About (4R,7R)-10-bromo-4,6-dimethyl-6,11-diazatetracyclo[7.6.1.03,7.012,16]hexadeca-1(16),2,9,12,14-pentaene

(4R,7R)-10-bromo-4,6-dimethyl-6,11-diazatetracyclo[7.6.1.03,7.012,16]hexadeca-1(16),2,9,12,14-pentaene (PubChem CID 10686947) has the molecular formula C16H17BrN2 and a molecular weight of 317.23 g/mol. Its IUPAC name is (4R,7R)-10-bromo-4,6-dimethyl-6,11-diazatetracyclo[7.6.1.03,7.012,16]hexadeca-1(16),2,9,12,14-pentaene.

Molecular Properties

Compound Name(4R,7R)-10-bromo-4,6-dimethyl-6,11-diazatetracyclo[7.6.1.03,7.012,16]hexadeca-1(16),2,9,12,14-pentaene
PubChem CID10686947
Molecular FormulaC16H17BrN2
Molecular Weight317.23 g/mol
Exact Mass316.06
IUPAC Name(4R,7R)-10-bromo-4,6-dimethyl-6,11-diazatetracyclo[7.6.1.03,7.012,16]hexadeca-1(16),2,9,12,14-pentaene
SMILESC[C@H]1CN(C)[C@@H]2Cc3c(Br)[nH]c4cccc(c34)C=C21
InChIInChI=1S/C16H17BrN2/c1-9-8-19(2)14-7-12-15-10(6-11(9)14)4-3-5-13(15)18-16(12)17/h3-6,9,14,18H,7-8H2,1-2H3/t9-,14+/m0/s1
InChIKeyIXAAPFHNYACQOU-LKFCYVNXSA-N
XLogP3.82
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.23
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (4R,7R)-10-bromo-4,6-dimethyl-6,11-diazatetracyclo[7.6.1.03,7.012,16]hexadeca-1(16),2,9,12,14-pentaene with MolForge

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Related Compounds

bromomethane;10-bromo-6-methyl-4-propan-2-yl-6,11-diazatetracyclo[7.6.1.03,7.012,16]hexadeca-1(16),2,9,12,14-pentaene
CID 91444329
(6aR,9R)-5-bromo-N-cyclopropyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 67943696
1-[(9R)-5-bromo-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-N,N-diethylethenamine
CID 167513632
[(9R)-5-bromo-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-morpholin-4-ylmethanone
CID 166091744
[(6aR,9R)-5-bromo-7,9-dimethyl-4,6,6a,8-tetrahydroindolo[4,3-fg]quinolin-9-yl]methanol
CID 70118962
[(6aR,9R)-5-bromo-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl azetidine-1-carboxylate
CID 70591508
[(6aR,9R)-5-bromo-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl piperidine-1-carboxylate
CID 70591704
10-bromo-6-methyl-3-oxa-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene;oxalic acid
CID 70546403
bis([(6aR,9R)-5-bromo-7-propyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-[(2S,4S)-2,4-dimethylazetidin-1-yl]methanone);2,3-dihydroxybutanedioic acid
CID 175881778
[(4R,7S)-6-methyl-6,11-diazatetracyclo[7.6.1.03,7.012,16]hexadeca-1(16),2,9,12,14-pentaen-4-yl]methyl acetate
CID 15818564
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
(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

Frequently Asked Questions

What is the IUPAC name of (4R,7R)-10-bromo-4,6-dimethyl-6,11-diazatetracyclo[7.6.1.03,7.012,16]hexadeca-1(16),2,9,12,14-pentaene?
The IUPAC name of (4R,7R)-10-bromo-4,6-dimethyl-6,11-diazatetracyclo[7.6.1.03,7.012,16]hexadeca-1(16),2,9,12,14-pentaene (CID 10686947) is (4R,7R)-10-bromo-4,6-dimethyl-6,11-diazatetracyclo[7.6.1.03,7.012,16]hexadeca-1(16),2,9,12,14-pentaene.
What is the SMILES notation for (4R,7R)-10-bromo-4,6-dimethyl-6,11-diazatetracyclo[7.6.1.03,7.012,16]hexadeca-1(16),2,9,12,14-pentaene?
The canonical SMILES for (4R,7R)-10-bromo-4,6-dimethyl-6,11-diazatetracyclo[7.6.1.03,7.012,16]hexadeca-1(16),2,9,12,14-pentaene is C[C@H]1CN(C)[C@@H]2Cc3c(Br)[nH]c4cccc(c34)C=C21.
What is the InChIKey of (4R,7R)-10-bromo-4,6-dimethyl-6,11-diazatetracyclo[7.6.1.03,7.012,16]hexadeca-1(16),2,9,12,14-pentaene?
The InChIKey is IXAAPFHNYACQOU-LKFCYVNXSA-N. The full InChI is InChI=1S/C16H17BrN2/c1-9-8-19(2)14-7-12-15-10(6-11(9)14)4-3-5-13(15)18-16(12)17/h3-6,9,14,18H,7-8H2,1-2H3/t9-,14+/m0/s1.
What are the key properties of (4R,7R)-10-bromo-4,6-dimethyl-6,11-diazatetracyclo[7.6.1.03,7.012,16]hexadeca-1(16),2,9,12,14-pentaene?
(4R,7R)-10-bromo-4,6-dimethyl-6,11-diazatetracyclo[7.6.1.03,7.012,16]hexadeca-1(16),2,9,12,14-pentaene has a molecular weight of 317.23 g/mol, XLogP of 3.82, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,7R)-10-bromo-4,6-dimethyl-6,11-diazatetracyclo[7.6.1.03,7.012,16]hexadeca-1(16),2,9,12,14-pentaene is sourced from PubChem (CID 10686947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).