5-chloro-7-methoxy-3-(4-methoxyphenyl)-3-methyl-2,4-dihydro-1H-quinoline

C18H20ClNO2 — CID 154269284

IUPAC5-chloro-7-methoxy-3-(4-methoxyphenyl)-3-methyl-2,4-dihydro-1H-quinoline
SMILESCOc1ccc(C2(C)CNc3cc(OC)cc(Cl)c3C2)cc1
InChIInChI=1S/C18H20ClNO2/c1-18(12-4-6-13(21-2)7-5-12)10-15-16(19)8-14(22-3)9-17(15)20-11-18/h4-9,20H,10-11H2,1-3H3
InChIKeyTZAIIPQXJSTMJW-UHFFFAOYSA-N
MW317.82 g/mol
LogP4.28
Rot. Bonds3

About 5-chloro-7-methoxy-3-(4-methoxyphenyl)-3-methyl-2,4-dihydro-1H-quinoline

5-chloro-7-methoxy-3-(4-methoxyphenyl)-3-methyl-2,4-dihydro-1H-quinoline (PubChem CID 154269284) has the molecular formula C18H20ClNO2 and a molecular weight of 317.82 g/mol. Its IUPAC name is 5-chloro-7-methoxy-3-(4-methoxyphenyl)-3-methyl-2,4-dihydro-1H-quinoline.

Molecular Properties

Compound Name5-chloro-7-methoxy-3-(4-methoxyphenyl)-3-methyl-2,4-dihydro-1H-quinoline
PubChem CID154269284
Molecular FormulaC18H20ClNO2
Molecular Weight317.82 g/mol
Exact Mass317.12
IUPAC Name5-chloro-7-methoxy-3-(4-methoxyphenyl)-3-methyl-2,4-dihydro-1H-quinoline
SMILESCOc1ccc(C2(C)CNc3cc(OC)cc(Cl)c3C2)cc1
InChIInChI=1S/C18H20ClNO2/c1-18(12-4-6-13(21-2)7-5-12)10-15-16(19)8-14(22-3)9-17(15)20-11-18/h4-9,20H,10-11H2,1-3H3
InChIKeyTZAIIPQXJSTMJW-UHFFFAOYSA-N
XLogP4.28
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-7-methoxy-1,2,3,4-tetrahydroquinoline
CID 84667985
1-methoxy-4-(1,3,4-trimethylcyclopent-3-en-1-yl)benzene
CID 10965945
5,7-dimethoxy-3,3-dimethyl-2,4-dihydro-1H-quinoline
CID 84623903
3-fluoro-7-methoxy-3-methyl-2,4-dihydro-1H-quinoline
CID 84720514
1-methoxy-4-[1-(4-methoxyphenyl)-2-methylidenecyclopropyl]benzene
CID 13355231
(1R,5R)-1-(4-methoxyphenyl)-5-methylbicyclo[3.1.0]hexan-3-one
CID 132839320
4-(4-methoxyphenyl)-4-methylimidazolidin-2-one
CID 105458751
7-methoxy-3,4-dihydro-1H-quinazoline-2-thione
CID 84773181
5-(4-methoxyphenyl)-5-methylpiperazine-2,3-dione
CID 116856095
7-methoxy-2,2-dimethyl-3,4-dihydro-1λ6,4-benzothiazine 1,1-dioxide
CID 84630049
1-methoxy-4-[1,2,2-tris(4-methoxyphenyl)cyclopropyl]benzene
CID 12846256
5-(4-methoxyphenyl)sulfonyl-3,3-dimethyl-1,2-dihydroindole
CID 174764020

Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-methoxy-3-(4-methoxyphenyl)-3-methyl-2,4-dihydro-1H-quinoline?
The IUPAC name of 5-chloro-7-methoxy-3-(4-methoxyphenyl)-3-methyl-2,4-dihydro-1H-quinoline (CID 154269284) is 5-chloro-7-methoxy-3-(4-methoxyphenyl)-3-methyl-2,4-dihydro-1H-quinoline.
What is the SMILES notation for 5-chloro-7-methoxy-3-(4-methoxyphenyl)-3-methyl-2,4-dihydro-1H-quinoline?
The canonical SMILES for 5-chloro-7-methoxy-3-(4-methoxyphenyl)-3-methyl-2,4-dihydro-1H-quinoline is COc1ccc(C2(C)CNc3cc(OC)cc(Cl)c3C2)cc1.
What is the InChIKey of 5-chloro-7-methoxy-3-(4-methoxyphenyl)-3-methyl-2,4-dihydro-1H-quinoline?
The InChIKey is TZAIIPQXJSTMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO2/c1-18(12-4-6-13(21-2)7-5-12)10-15-16(19)8-14(22-3)9-17(15)20-11-18/h4-9,20H,10-11H2,1-3H3.
What are the key properties of 5-chloro-7-methoxy-3-(4-methoxyphenyl)-3-methyl-2,4-dihydro-1H-quinoline?
5-chloro-7-methoxy-3-(4-methoxyphenyl)-3-methyl-2,4-dihydro-1H-quinoline has a molecular weight of 317.82 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-methoxy-3-(4-methoxyphenyl)-3-methyl-2,4-dihydro-1H-quinoline is sourced from PubChem (CID 154269284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).