8-bromo-3-(2-methyl-1,8-naphthyridin-3-yl)-[1,3,4]oxadiazino[6,5-b]indole

C18H10BrN5O — CID 11794828

IUPAC8-bromo-3-(2-methyl-1,8-naphthyridin-3-yl)-[1,3,4]oxadiazino[6,5-b]indole
SMILESCc1nc2ncccc2cc1-c1nnc2c3cc(Br)ccc3nc-2o1
InChIInChI=1S/C18H10BrN5O/c1-9-12(7-10-3-2-6-20-16(10)21-9)17-24-23-15-13-8-11(19)4-5-14(13)22-18(15)25-17/h2-8H,1H3
InChIKeyMTJCCJOFZOISFG-UHFFFAOYSA-N
MW392.22 g/mol
LogP4.40
Rot. Bonds1

About 8-bromo-3-(2-methyl-1,8-naphthyridin-3-yl)-[1,3,4]oxadiazino[6,5-b]indole

8-bromo-3-(2-methyl-1,8-naphthyridin-3-yl)-[1,3,4]oxadiazino[6,5-b]indole (PubChem CID 11794828) has the molecular formula C18H10BrN5O and a molecular weight of 392.22 g/mol. Its IUPAC name is 8-bromo-3-(2-methyl-1,8-naphthyridin-3-yl)-[1,3,4]oxadiazino[6,5-b]indole.

Molecular Properties

Compound Name8-bromo-3-(2-methyl-1,8-naphthyridin-3-yl)-[1,3,4]oxadiazino[6,5-b]indole
PubChem CID11794828
Molecular FormulaC18H10BrN5O
Molecular Weight392.22 g/mol
Exact Mass391.01
IUPAC Name8-bromo-3-(2-methyl-1,8-naphthyridin-3-yl)-[1,3,4]oxadiazino[6,5-b]indole
SMILESCc1nc2ncccc2cc1-c1nnc2c3cc(Br)ccc3nc-2o1
InChIInChI=1S/C18H10BrN5O/c1-9-12(7-10-3-2-6-20-16(10)21-9)17-24-23-15-13-8-11(19)4-5-14(13)22-18(15)25-17/h2-8H,1H3
InChIKeyMTJCCJOFZOISFG-UHFFFAOYSA-N
XLogP4.40
TPSA77.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.22
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-bromo-3-(2-methyl-1,8-naphthyridin-3-yl)-[1,3,4]oxadiazino[6,5-b]indole with MolForge

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Related Compounds

8-chloro-3-(2-methyl-1,8-naphthyridin-3-yl)-[1,3,4]oxadiazino[6,5-b]indole
CID 10497878
3-(2-phenyl-1,8-naphthyridin-3-yl)-[1,3,4]oxadiazino[6,5-b]indole
CID 10738230
bis(6-bromoquinoline);hydrate
CID 174834691
6-bromo-2-methyl-4-phenylquinazoline
CID 4713931
11-bromoquinoxalino[2,3-f][1,10]phenanthroline;bis(1,10-phenanthroline);ruthenium
CID 162460175
6-bromo-2-methyl-4-(3-methylphenyl)quinoline
CID 168914877
2-(3-methyl-6-quinolin-6-ylpyrazin-2-yl)-5-phenyl-1,3,4-oxadiazole
CID 121399760
N-[(4-bromophenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide
CID 46909068
6-bromo-2-(2-ethoxyphenyl)-3,1-benzoxazin-4-one
CID 1253920
10-bromo-6-phenyl-1,8-naphthyridino[2,1-b]quinazolin-12-one
CID 11729101
2-methyl-5-(2-methyl-3-pyridinyl)-1,3,4-oxadiazole
CID 131089626
6-bromo-9-methylpyrido[2,3-b]indole
CID 19439810

Frequently Asked Questions

What is the IUPAC name of 8-bromo-3-(2-methyl-1,8-naphthyridin-3-yl)-[1,3,4]oxadiazino[6,5-b]indole?
The IUPAC name of 8-bromo-3-(2-methyl-1,8-naphthyridin-3-yl)-[1,3,4]oxadiazino[6,5-b]indole (CID 11794828) is 8-bromo-3-(2-methyl-1,8-naphthyridin-3-yl)-[1,3,4]oxadiazino[6,5-b]indole.
What is the SMILES notation for 8-bromo-3-(2-methyl-1,8-naphthyridin-3-yl)-[1,3,4]oxadiazino[6,5-b]indole?
The canonical SMILES for 8-bromo-3-(2-methyl-1,8-naphthyridin-3-yl)-[1,3,4]oxadiazino[6,5-b]indole is Cc1nc2ncccc2cc1-c1nnc2c3cc(Br)ccc3nc-2o1.
What is the InChIKey of 8-bromo-3-(2-methyl-1,8-naphthyridin-3-yl)-[1,3,4]oxadiazino[6,5-b]indole?
The InChIKey is MTJCCJOFZOISFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10BrN5O/c1-9-12(7-10-3-2-6-20-16(10)21-9)17-24-23-15-13-8-11(19)4-5-14(13)22-18(15)25-17/h2-8H,1H3.
What are the key properties of 8-bromo-3-(2-methyl-1,8-naphthyridin-3-yl)-[1,3,4]oxadiazino[6,5-b]indole?
8-bromo-3-(2-methyl-1,8-naphthyridin-3-yl)-[1,3,4]oxadiazino[6,5-b]indole has a molecular weight of 392.22 g/mol, XLogP of 4.40, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-3-(2-methyl-1,8-naphthyridin-3-yl)-[1,3,4]oxadiazino[6,5-b]indole is sourced from PubChem (CID 11794828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).