3,4-dihydro-2H-quinolin-1-yl-(3,4-dimethoxyphenyl)methanone

C18H19NO3 — CID 694543

IUPAC3,4-dihydro-2H-quinolin-1-yl-(3,4-dimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCCc3ccccc32)cc1OC
InChIInChI=1S/C18H19NO3/c1-21-16-10-9-14(12-17(16)22-2)18(20)19-11-5-7-13-6-3-4-8-15(13)19/h3-4,6,8-10,12H,5,7,11H2,1-2H3
InChIKeyDLBQAAXYSROTCW-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.30
Rot. Bonds3

About 3,4-dihydro-2H-quinolin-1-yl-(3,4-dimethoxyphenyl)methanone

3,4-dihydro-2H-quinolin-1-yl-(3,4-dimethoxyphenyl)methanone (PubChem CID 694543) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 3,4-dihydro-2H-quinolin-1-yl-(3,4-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-quinolin-1-yl-(3,4-dimethoxyphenyl)methanone
PubChem CID694543
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name3,4-dihydro-2H-quinolin-1-yl-(3,4-dimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCCc3ccccc32)cc1OC
InChIInChI=1S/C18H19NO3/c1-21-16-10-9-14(12-17(16)22-2)18(20)19-11-5-7-13-6-3-4-8-15(13)19/h3-4,6,8-10,12H,5,7,11H2,1-2H3
InChIKeyDLBQAAXYSROTCW-UHFFFAOYSA-N
XLogP3.30
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 48041
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CID 6156423
3-Methoxy-O-demethylencainide
CID 54737
N-Phenylethylcrinasiadine
CID 71452576
Anhydrolycorinone
CID 321920
(4-(2-Methoxyphenyl)-1-piperazinyl)(3,4,5-trimethoxyphenyl)methanone
CID 28757
3,4-dihydro-1(2H)-quinolinyl(4-methoxyphenyl)methanone
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CID 710515

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-(3,4-dimethoxyphenyl)methanone?
The IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-(3,4-dimethoxyphenyl)methanone (CID 694543) is 3,4-dihydro-2H-quinolin-1-yl-(3,4-dimethoxyphenyl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-quinolin-1-yl-(3,4-dimethoxyphenyl)methanone?
The canonical SMILES for 3,4-dihydro-2H-quinolin-1-yl-(3,4-dimethoxyphenyl)methanone is COc1ccc(C(=O)N2CCCc3ccccc32)cc1OC.
What is the InChIKey of 3,4-dihydro-2H-quinolin-1-yl-(3,4-dimethoxyphenyl)methanone?
The InChIKey is DLBQAAXYSROTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-21-16-10-9-14(12-17(16)22-2)18(20)19-11-5-7-13-6-3-4-8-15(13)19/h3-4,6,8-10,12H,5,7,11H2,1-2H3.
What are the key properties of 3,4-dihydro-2H-quinolin-1-yl-(3,4-dimethoxyphenyl)methanone?
3,4-dihydro-2H-quinolin-1-yl-(3,4-dimethoxyphenyl)methanone has a molecular weight of 297.35 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-quinolin-1-yl-(3,4-dimethoxyphenyl)methanone is sourced from PubChem (CID 694543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).