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

C18H10ClN5O — CID 10497878

IUPAC8-chloro-3-(2-methyl-1,8-naphthyridin-3-yl)-[1,3,4]oxadiazino[6,5-b]indole
SMILESCc1nc2ncccc2cc1-c1nnc2c3cc(Cl)ccc3nc-2o1
InChIInChI=1S/C18H10ClN5O/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
InChIKeyHOAYTHCCSABBKN-UHFFFAOYSA-N
MW347.77 g/mol
LogP4.29
Rot. Bonds1

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

8-chloro-3-(2-methyl-1,8-naphthyridin-3-yl)-[1,3,4]oxadiazino[6,5-b]indole (PubChem CID 10497878) has the molecular formula C18H10ClN5O and a molecular weight of 347.77 g/mol. Its IUPAC name is 8-chloro-3-(2-methyl-1,8-naphthyridin-3-yl)-[1,3,4]oxadiazino[6,5-b]indole.

Molecular Properties

Compound Name8-chloro-3-(2-methyl-1,8-naphthyridin-3-yl)-[1,3,4]oxadiazino[6,5-b]indole
PubChem CID10497878
Molecular FormulaC18H10ClN5O
Molecular Weight347.77 g/mol
Exact Mass347.06
IUPAC Name8-chloro-3-(2-methyl-1,8-naphthyridin-3-yl)-[1,3,4]oxadiazino[6,5-b]indole
SMILESCc1nc2ncccc2cc1-c1nnc2c3cc(Cl)ccc3nc-2o1
InChIInChI=1S/C18H10ClN5O/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
InChIKeyHOAYTHCCSABBKN-UHFFFAOYSA-N
XLogP4.29
TPSA77.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.77
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-chloro-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-bromo-3-(2-methyl-1,8-naphthyridin-3-yl)-[1,3,4]oxadiazino[6,5-b]indole
CID 11794828
3-(2-phenyl-1,8-naphthyridin-3-yl)-[1,3,4]oxadiazino[6,5-b]indole
CID 10738230
7-chloro-14-phenyl-1,3,11,12,20-pentazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-2,4(9),5,7,10,12,14,16(21),17,19-decaene
CID 10571921
6-chloro-2-(2-chloro-3-pyridinyl)-3-methylquinazolin-4-one
CID 141476314
7-[3-(4-chlorophenyl)phenyl]-6-methylpyrido[2,3-b]pyrazine
CID 167985419
2-(3-methyl-6-quinolin-6-ylpyrazin-2-yl)-5-phenyl-1,3,4-oxadiazole
CID 121399760
6-chloro-1-methylpyrido[2,3-b]indole
CID 15135768
2-(6-chloro-1,3-benzoxazol-2-yl)-6-methylaniline
CID 81433043
2-(2-chloro-3-pyridinyl)-5-methyl-1,3-benzoxazole
CID 1472067
2-methyl-5-(2-methyl-3-pyridinyl)-1,3,4-oxadiazole
CID 131089626
6-chloro-2-[4-(6-chloro-4-oxo-3,1-benzoxazin-2-yl)phenyl]-3,1-benzoxazin-4-one
CID 18432334
ethane;3-methyl-1,8-naphthyridine
CID 90816561

Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-(2-methyl-1,8-naphthyridin-3-yl)-[1,3,4]oxadiazino[6,5-b]indole?
The IUPAC name of 8-chloro-3-(2-methyl-1,8-naphthyridin-3-yl)-[1,3,4]oxadiazino[6,5-b]indole (CID 10497878) is 8-chloro-3-(2-methyl-1,8-naphthyridin-3-yl)-[1,3,4]oxadiazino[6,5-b]indole.
What is the SMILES notation for 8-chloro-3-(2-methyl-1,8-naphthyridin-3-yl)-[1,3,4]oxadiazino[6,5-b]indole?
The canonical SMILES for 8-chloro-3-(2-methyl-1,8-naphthyridin-3-yl)-[1,3,4]oxadiazino[6,5-b]indole is Cc1nc2ncccc2cc1-c1nnc2c3cc(Cl)ccc3nc-2o1.
What is the InChIKey of 8-chloro-3-(2-methyl-1,8-naphthyridin-3-yl)-[1,3,4]oxadiazino[6,5-b]indole?
The InChIKey is HOAYTHCCSABBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10ClN5O/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-chloro-3-(2-methyl-1,8-naphthyridin-3-yl)-[1,3,4]oxadiazino[6,5-b]indole?
8-chloro-3-(2-methyl-1,8-naphthyridin-3-yl)-[1,3,4]oxadiazino[6,5-b]indole has a molecular weight of 347.77 g/mol, XLogP of 4.29, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-(2-methyl-1,8-naphthyridin-3-yl)-[1,3,4]oxadiazino[6,5-b]indole is sourced from PubChem (CID 10497878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).