methane;1,3,10-trichloro-5,6,6a,11b-tetrahydro-[1]benzofuro[2,3-c]quinoline-6-carboxylate

C17H13Cl3NO3- — CID 158751126

IUPACmethane;1,3,10-trichloro-5,6,6a,11b-tetrahydro-[1]benzofuro[2,3-c]quinoline-6-carboxylate
SMILESC.O=C([O-])C1Nc2cc(Cl)cc(Cl)c2C2c3cc(Cl)ccc3OC12
InChIInChI=1S/C16H10Cl3NO3.CH4/c17-6-1-2-11-8(3-6)12-13-9(19)4-7(18)5-10(13)20-14(16(21)22)15(12)23-11;/h1-5,12,14-15,20H,(H,21,22);1H4/p-1
InChIKeyINMMTUOOHKRUMF-UHFFFAOYSA-M
MW385.65 g/mol
LogP3.72
Rot. Bonds1

About methane;1,3,10-trichloro-5,6,6a,11b-tetrahydro-[1]benzofuro[2,3-c]quinoline-6-carboxylate

methane;1,3,10-trichloro-5,6,6a,11b-tetrahydro-[1]benzofuro[2,3-c]quinoline-6-carboxylate (PubChem CID 158751126) has the molecular formula C17H13Cl3NO3- and a molecular weight of 385.65 g/mol. Its IUPAC name is methane;1,3,10-trichloro-5,6,6a,11b-tetrahydro-[1]benzofuro[2,3-c]quinoline-6-carboxylate.

Molecular Properties

Compound Namemethane;1,3,10-trichloro-5,6,6a,11b-tetrahydro-[1]benzofuro[2,3-c]quinoline-6-carboxylate
PubChem CID158751126
Molecular FormulaC17H13Cl3NO3-
Molecular Weight385.65 g/mol
Exact Mass384.00
IUPAC Namemethane;1,3,10-trichloro-5,6,6a,11b-tetrahydro-[1]benzofuro[2,3-c]quinoline-6-carboxylate
SMILESC.O=C([O-])C1Nc2cc(Cl)cc(Cl)c2C2c3cc(Cl)ccc3OC12
InChIInChI=1S/C16H10Cl3NO3.CH4/c17-6-1-2-11-8(3-6)12-13-9(19)4-7(18)5-10(13)20-14(16(21)22)15(12)23-11;/h1-5,12,14-15,20H,(H,21,22);1H4/p-1
InChIKeyINMMTUOOHKRUMF-UHFFFAOYSA-M
XLogP3.72
TPSA61.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.65
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methane;1,3,10-trichloro-5,6,6a,11b-tetrahydro-[1]benzofuro[2,3-c]quinoline-6-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3,10-trichloro-5,6,6a,11b-tetrahydro-[1]benzofuro[2,3-c]quinoline-6-carboxylic acid
CID 10156034
sodium 1,3-dichloro-10-methyl-5,6,6a,11b-tetrahydro-[1]benzofuro[2,3-c]quinoline-6-carboxylate
CID 23711173
potassium 1,3-dichloro-8-ethyl-5,6,6a,11b-tetrahydro-[1]benzofuro[2,3-c]quinoline-6-carboxylate
CID 23711182
1,3,8-trichloro-5,6,6a,11b-tetrahydro-[1]benzofuro[2,3-c]quinoline-6-carboxylic acid
CID 10156033
(3aS,4R,9bS)-7,9-dichloro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylate
CID 11870407
5-chloro-2,3-dihydro-1,3-benzoxazole-2-carboxylate;triethylazanium
CID 110180850
1,3-dichloro-8-methoxy-5,6,6a,8,9,11b-hexahydro-[1]benzofuro[2,3-c]quinoline-6-carboxylic acid
CID 71198873
(3aR,4S,9bR)-7,9-dichloro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid
CID 6361130
1,3-dichloro-8-methyl-5,6,6a,11b-tetrahydro-[1]benzofuro[2,3-c]quinoline-6-carbaldehyde;hydrochloride
CID 142211648
[(2aS,8R,8aR)-6-chloro-2-oxo-1,2a,8,8a-tetrahydrochromeno[3,2-b]azet-8-yl] acetate
CID 100964488
(3aR,4S,9bR)-8-[(2,4-dichlorobenzoyl)amino]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylate
CID 6996575
5-chloro-2-methyl-2,3-dihydro-1-benzofuran-3-carbonyl chloride
CID 23453103

Frequently Asked Questions

What is the IUPAC name of methane;1,3,10-trichloro-5,6,6a,11b-tetrahydro-[1]benzofuro[2,3-c]quinoline-6-carboxylate?
The IUPAC name of methane;1,3,10-trichloro-5,6,6a,11b-tetrahydro-[1]benzofuro[2,3-c]quinoline-6-carboxylate (CID 158751126) is methane;1,3,10-trichloro-5,6,6a,11b-tetrahydro-[1]benzofuro[2,3-c]quinoline-6-carboxylate.
What is the SMILES notation for methane;1,3,10-trichloro-5,6,6a,11b-tetrahydro-[1]benzofuro[2,3-c]quinoline-6-carboxylate?
The canonical SMILES for methane;1,3,10-trichloro-5,6,6a,11b-tetrahydro-[1]benzofuro[2,3-c]quinoline-6-carboxylate is C.O=C([O-])C1Nc2cc(Cl)cc(Cl)c2C2c3cc(Cl)ccc3OC12.
What is the InChIKey of methane;1,3,10-trichloro-5,6,6a,11b-tetrahydro-[1]benzofuro[2,3-c]quinoline-6-carboxylate?
The InChIKey is INMMTUOOHKRUMF-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H10Cl3NO3.CH4/c17-6-1-2-11-8(3-6)12-13-9(19)4-7(18)5-10(13)20-14(16(21)22)15(12)23-11;/h1-5,12,14-15,20H,(H,21,22);1H4/p-1.
What are the key properties of methane;1,3,10-trichloro-5,6,6a,11b-tetrahydro-[1]benzofuro[2,3-c]quinoline-6-carboxylate?
methane;1,3,10-trichloro-5,6,6a,11b-tetrahydro-[1]benzofuro[2,3-c]quinoline-6-carboxylate has a molecular weight of 385.65 g/mol, XLogP of 3.72, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1,3,10-trichloro-5,6,6a,11b-tetrahydro-[1]benzofuro[2,3-c]quinoline-6-carboxylate is sourced from PubChem (CID 158751126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).