9-chloro-5,7-dimethoxy-1,2,3,4-tetrahydroacridine

C15H16ClNO2 — CID 61382692

IUPAC9-chloro-5,7-dimethoxy-1,2,3,4-tetrahydroacridine
SMILESCOc1cc(OC)c2nc3c(c(Cl)c2c1)CCCC3
InChIInChI=1S/C15H16ClNO2/c1-18-9-7-11-14(16)10-5-3-4-6-12(10)17-15(11)13(8-9)19-2/h7-8H,3-6H2,1-2H3
InChIKeyNETQIGJLSNDGEI-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.78
Rot. Bonds2

About 9-chloro-5,7-dimethoxy-1,2,3,4-tetrahydroacridine

9-chloro-5,7-dimethoxy-1,2,3,4-tetrahydroacridine (PubChem CID 61382692) has the molecular formula C15H16ClNO2 and a molecular weight of 277.75 g/mol. Its IUPAC name is 9-chloro-5,7-dimethoxy-1,2,3,4-tetrahydroacridine.

Molecular Properties

Compound Name9-chloro-5,7-dimethoxy-1,2,3,4-tetrahydroacridine
PubChem CID61382692
Molecular FormulaC15H16ClNO2
Molecular Weight277.75 g/mol
Exact Mass277.09
IUPAC Name9-chloro-5,7-dimethoxy-1,2,3,4-tetrahydroacridine
SMILESCOc1cc(OC)c2nc3c(c(Cl)c2c1)CCCC3
InChIInChI=1S/C15H16ClNO2/c1-18-9-7-11-14(16)10-5-3-4-6-12(10)17-15(11)13(8-9)19-2/h7-8H,3-6H2,1-2H3
InChIKeyNETQIGJLSNDGEI-UHFFFAOYSA-N
XLogP3.78
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

11-chloro-2-methoxy-4-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline
CID 55185807
3-bromo-2,4-dichloro-6,8-dimethoxyquinoline
CID 97181901
5,9-dichloro-7-methyl-2,3-dihydro-1H-cyclopenta[b]quinoline
CID 63409268
7-chloro-5,8-dimethoxy-N-methyl-1,2,3,4-tetrahydroacridin-9-amine
CID 63479643
4-chloro-6,8-dimethoxy-2-methylquinazoline
CID 89399960
4,11-dichloro-2-fluoro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline
CID 55186753
11-chloro-17-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2(7),8,11,16-pentaene
CID 55186181
8-bromo-9-chloro-5-methoxy-2,3-dihydro-1H-cyclopenta[b]quinoline
CID 54967603
9-chloro-5-ethoxy-2,3-dihydro-1H-cyclopenta[b]quinoline
CID 61381987
4-chloro-2-ethyl-6,8-dimethoxyquinoline
CID 43668808
11-chloro-4-(methoxymethyl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline
CID 63351322
11-chloro-4-fluoro-3-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline
CID 114254573

Frequently Asked Questions

What is the IUPAC name of 9-chloro-5,7-dimethoxy-1,2,3,4-tetrahydroacridine?
The IUPAC name of 9-chloro-5,7-dimethoxy-1,2,3,4-tetrahydroacridine (CID 61382692) is 9-chloro-5,7-dimethoxy-1,2,3,4-tetrahydroacridine.
What is the SMILES notation for 9-chloro-5,7-dimethoxy-1,2,3,4-tetrahydroacridine?
The canonical SMILES for 9-chloro-5,7-dimethoxy-1,2,3,4-tetrahydroacridine is COc1cc(OC)c2nc3c(c(Cl)c2c1)CCCC3.
What is the InChIKey of 9-chloro-5,7-dimethoxy-1,2,3,4-tetrahydroacridine?
The InChIKey is NETQIGJLSNDGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2/c1-18-9-7-11-14(16)10-5-3-4-6-12(10)17-15(11)13(8-9)19-2/h7-8H,3-6H2,1-2H3.
What are the key properties of 9-chloro-5,7-dimethoxy-1,2,3,4-tetrahydroacridine?
9-chloro-5,7-dimethoxy-1,2,3,4-tetrahydroacridine has a molecular weight of 277.75 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-5,7-dimethoxy-1,2,3,4-tetrahydroacridine is sourced from PubChem (CID 61382692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).