9-methoxy-5-phenyl-1,2,3,4-tetrahydrobenzo[h]quinoline

C20H19NO — CID 122234830

IUPAC9-methoxy-5-phenyl-1,2,3,4-tetrahydrobenzo[h]quinoline
SMILESCOc1ccc2cc(-c3ccccc3)c3c(c2c1)NCCC3
InChIInChI=1S/C20H19NO/c1-22-16-10-9-15-12-18(14-6-3-2-4-7-14)17-8-5-11-21-20(17)19(15)13-16/h2-4,6-7,9-10,12-13,21H,5,8,11H2,1H3
InChIKeyVRXUJXBAJPWABC-UHFFFAOYSA-N
MW289.38 g/mol
LogP4.87
Rot. Bonds2

About 9-methoxy-5-phenyl-1,2,3,4-tetrahydrobenzo[h]quinoline

9-methoxy-5-phenyl-1,2,3,4-tetrahydrobenzo[h]quinoline (PubChem CID 122234830) has the molecular formula C20H19NO and a molecular weight of 289.38 g/mol. Its IUPAC name is 9-methoxy-5-phenyl-1,2,3,4-tetrahydrobenzo[h]quinoline.

Molecular Properties

Compound Name9-methoxy-5-phenyl-1,2,3,4-tetrahydrobenzo[h]quinoline
PubChem CID122234830
Molecular FormulaC20H19NO
Molecular Weight289.38 g/mol
Exact Mass289.15
IUPAC Name9-methoxy-5-phenyl-1,2,3,4-tetrahydrobenzo[h]quinoline
SMILESCOc1ccc2cc(-c3ccccc3)c3c(c2c1)NCCC3
InChIInChI=1S/C20H19NO/c1-22-16-10-9-15-12-18(14-6-3-2-4-7-14)17-8-5-11-21-20(17)19(15)13-16/h2-4,6-7,9-10,12-13,21H,5,8,11H2,1H3
InChIKeyVRXUJXBAJPWABC-UHFFFAOYSA-N
XLogP4.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-methoxyphenyl)-4,7-diphenyl-2,3-dihydro-1H-indene
CID 53473730
3-methoxy-5-phenylbenzo[a]anthracene
CID 24786261
4-(4-methoxyphenyl)-2-phenyl-5,6,7,8-tetrahydroquinoline
CID 13010672
7-methoxy-1-methyl-3-phenylnaphthalene
CID 53497213
8,9-dimethoxy-1,2,3,4-tetrahydrobenzo[h]quinoline
CID 15402109
6-methoxy-1,2,3,4-tetrahydrophenanthrene
CID 14828207
2-methoxy-7-(2-phenylphenyl)naphthalene
CID 141340555
6-methoxy-2-methyl-4-phenylquinoline
CID 12787220
7-methoxy-1-phenylisoquinoline
CID 86087026
6-methoxy-7-phenyl-1,2,3,4-tetrahydroquinoline
CID 23078397
2-methoxy-6-phenylnaphthalene
CID 11253308
8-(2-fluoro-4-methoxyphenyl)-1,2,3,4-tetrahydroquinoline
CID 115505142

Frequently Asked Questions

What is the IUPAC name of 9-methoxy-5-phenyl-1,2,3,4-tetrahydrobenzo[h]quinoline?
The IUPAC name of 9-methoxy-5-phenyl-1,2,3,4-tetrahydrobenzo[h]quinoline (CID 122234830) is 9-methoxy-5-phenyl-1,2,3,4-tetrahydrobenzo[h]quinoline.
What is the SMILES notation for 9-methoxy-5-phenyl-1,2,3,4-tetrahydrobenzo[h]quinoline?
The canonical SMILES for 9-methoxy-5-phenyl-1,2,3,4-tetrahydrobenzo[h]quinoline is COc1ccc2cc(-c3ccccc3)c3c(c2c1)NCCC3.
What is the InChIKey of 9-methoxy-5-phenyl-1,2,3,4-tetrahydrobenzo[h]quinoline?
The InChIKey is VRXUJXBAJPWABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO/c1-22-16-10-9-15-12-18(14-6-3-2-4-7-14)17-8-5-11-21-20(17)19(15)13-16/h2-4,6-7,9-10,12-13,21H,5,8,11H2,1H3.
What are the key properties of 9-methoxy-5-phenyl-1,2,3,4-tetrahydrobenzo[h]quinoline?
9-methoxy-5-phenyl-1,2,3,4-tetrahydrobenzo[h]quinoline has a molecular weight of 289.38 g/mol, XLogP of 4.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-5-phenyl-1,2,3,4-tetrahydrobenzo[h]quinoline is sourced from PubChem (CID 122234830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).