1-[4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]propan-2-one

C19H21NO — CID 82540729

IUPAC1-[4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]propan-2-one
SMILESCC(=O)Cc1ccc(-c2ccc3c(c2)CCCN3C)cc1
InChIInChI=1S/C19H21NO/c1-14(21)12-15-5-7-16(8-6-15)17-9-10-19-18(13-17)4-3-11-20(19)2/h5-10,13H,3-4,11-12H2,1-2H3
InChIKeyKEVZTFIMYDPKJL-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.87
Rot. Bonds3

About 1-[4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]propan-2-one

1-[4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]propan-2-one (PubChem CID 82540729) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-[4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]propan-2-one.

Molecular Properties

Compound Name1-[4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]propan-2-one
PubChem CID82540729
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name1-[4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]propan-2-one
SMILESCC(=O)Cc1ccc(-c2ccc3c(c2)CCCN3C)cc1
InChIInChI=1S/C19H21NO/c1-14(21)12-15-5-7-16(8-6-15)17-9-10-19-18(13-17)4-3-11-20(19)2/h5-10,13H,3-4,11-12H2,1-2H3
InChIKeyKEVZTFIMYDPKJL-UHFFFAOYSA-N
XLogP3.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]methanamine
CID 39226329
1-[4-(1-acetyl-2,3-dihydroindol-5-yl)phenyl]propan-2-one
CID 82540699
2-[4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]acetic acid
CID 129145060
(E)-3-[5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)furan-2-yl]but-2-enoic acid
CID 82543782
(E)-3-[4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]pent-2-enoic acid
CID 110447148
2-[4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]-N-(2-hydroxyethyl)acetamide
CID 129145256
2-methyl-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]propanamide
CID 16837096
N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]propanamide
CID 51099812
N'-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N-propyloxamide
CID 16837312
1,1-dimethyl-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]urea
CID 110478717
3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,2-oxazole-5-carboxylic acid
CID 55035014
1-methyl-6-pyrimidin-5-yl-3,4-dihydro-2H-quinoline
CID 121385714

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]propan-2-one?
The IUPAC name of 1-[4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]propan-2-one (CID 82540729) is 1-[4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]propan-2-one.
What is the SMILES notation for 1-[4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]propan-2-one?
The canonical SMILES for 1-[4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]propan-2-one is CC(=O)Cc1ccc(-c2ccc3c(c2)CCCN3C)cc1.
What is the InChIKey of 1-[4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]propan-2-one?
The InChIKey is KEVZTFIMYDPKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-14(21)12-15-5-7-16(8-6-15)17-9-10-19-18(13-17)4-3-11-20(19)2/h5-10,13H,3-4,11-12H2,1-2H3.
What are the key properties of 1-[4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]propan-2-one?
1-[4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]propan-2-one has a molecular weight of 279.38 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]propan-2-one is sourced from PubChem (CID 82540729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).