6-methoxy-7-phenyl-1,2,3,4-tetrahydroquinoline

C16H17NO — CID 23078397

IUPAC6-methoxy-7-phenyl-1,2,3,4-tetrahydroquinoline
SMILESCOc1cc2c(cc1-c1ccccc1)NCCC2
InChIInChI=1S/C16H17NO/c1-18-16-10-13-8-5-9-17-15(13)11-14(16)12-6-3-2-4-7-12/h2-4,6-7,10-11,17H,5,8-9H2,1H3
InChIKeyUHMHQKRTIIBBDY-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.72
Rot. Bonds2

About 6-methoxy-7-phenyl-1,2,3,4-tetrahydroquinoline

6-methoxy-7-phenyl-1,2,3,4-tetrahydroquinoline (PubChem CID 23078397) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 6-methoxy-7-phenyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name6-methoxy-7-phenyl-1,2,3,4-tetrahydroquinoline
PubChem CID23078397
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name6-methoxy-7-phenyl-1,2,3,4-tetrahydroquinoline
SMILESCOc1cc2c(cc1-c1ccccc1)NCCC2
InChIInChI=1S/C16H17NO/c1-18-16-10-13-8-5-9-17-15(13)11-14(16)12-6-3-2-4-7-12/h2-4,6-7,10-11,17H,5,8-9H2,1H3
InChIKeyUHMHQKRTIIBBDY-UHFFFAOYSA-N
XLogP3.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

6-methoxy-7-methyl-1,2,3,4-tetrahydroquinoline
CID 84656157
8-methoxy-7-phenyl-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 51056610
7-(2,4-dimethoxyphenyl)-1,2,3,4-tetrahydroquinoline
CID 81224636
7-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydroquinoline
CID 81224481
7-(5-fluoro-2-methoxyphenyl)-1,2,3,4-tetrahydroquinoline
CID 81224324
6-(5-fluoro-2-methoxyphenyl)-1,2,3,4-tetrahydroquinoline
CID 55079489
7-(3,5-dimethylpiperazin-1-yl)-6-methoxy-1,2,3,4-tetrahydroquinoline
CID 22711838
6-(4-methoxy-3-methylphenyl)-1,2,3,4-tetrahydroquinoline
CID 62500963
1,2,4-trimethoxy-5-phenylbenzene
CID 18788699
7-methoxy-6-piperidin-1-yl-1,2,3,4-tetrahydroquinoline
CID 82384226
N-(2-methoxyphenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 43325547
7-tert-butyl-8-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 82159104

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-7-phenyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 6-methoxy-7-phenyl-1,2,3,4-tetrahydroquinoline (CID 23078397) is 6-methoxy-7-phenyl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 6-methoxy-7-phenyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 6-methoxy-7-phenyl-1,2,3,4-tetrahydroquinoline is COc1cc2c(cc1-c1ccccc1)NCCC2.
What is the InChIKey of 6-methoxy-7-phenyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is UHMHQKRTIIBBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-18-16-10-13-8-5-9-17-15(13)11-14(16)12-6-3-2-4-7-12/h2-4,6-7,10-11,17H,5,8-9H2,1H3.
What are the key properties of 6-methoxy-7-phenyl-1,2,3,4-tetrahydroquinoline?
6-methoxy-7-phenyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 239.32 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-7-phenyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 23078397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).