(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-naphthalen-2-ylmethanone

C21H19NO — CID 26083928

IUPAC(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-naphthalen-2-ylmethanone
SMILESCc1ccc2c(c1)CCCN2C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C21H19NO/c1-15-8-11-20-18(13-15)7-4-12-22(20)21(23)19-10-9-16-5-2-3-6-17(16)14-19/h2-3,5-6,8-11,13-14H,4,7,12H2,1H3
InChIKeyMMRDAZWPYFEUQZ-UHFFFAOYSA-N
MW301.39 g/mol
LogP4.74
Rot. Bonds1

About (6-methyl-3,4-dihydro-2H-quinolin-1-yl)-naphthalen-2-ylmethanone

(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-naphthalen-2-ylmethanone (PubChem CID 26083928) has the molecular formula C21H19NO and a molecular weight of 301.39 g/mol. Its IUPAC name is (6-methyl-3,4-dihydro-2H-quinolin-1-yl)-naphthalen-2-ylmethanone.

Molecular Properties

Compound Name(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-naphthalen-2-ylmethanone
PubChem CID26083928
Molecular FormulaC21H19NO
Molecular Weight301.39 g/mol
Exact Mass301.15
IUPAC Name(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-naphthalen-2-ylmethanone
SMILESCc1ccc2c(c1)CCCN2C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C21H19NO/c1-15-8-11-20-18(13-15)7-4-12-22(20)21(23)19-10-9-16-5-2-3-6-17(16)14-19/h2-3,5-6,8-11,13-14H,4,7,12H2,1H3
InChIKeyMMRDAZWPYFEUQZ-UHFFFAOYSA-N
XLogP4.74
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (6-methyl-3,4-dihydro-2H-quinolin-1-yl)-naphthalen-2-ylmethanone?
The IUPAC name of (6-methyl-3,4-dihydro-2H-quinolin-1-yl)-naphthalen-2-ylmethanone (CID 26083928) is (6-methyl-3,4-dihydro-2H-quinolin-1-yl)-naphthalen-2-ylmethanone.
What is the SMILES notation for (6-methyl-3,4-dihydro-2H-quinolin-1-yl)-naphthalen-2-ylmethanone?
The canonical SMILES for (6-methyl-3,4-dihydro-2H-quinolin-1-yl)-naphthalen-2-ylmethanone is Cc1ccc2c(c1)CCCN2C(=O)c1ccc2ccccc2c1.
What is the InChIKey of (6-methyl-3,4-dihydro-2H-quinolin-1-yl)-naphthalen-2-ylmethanone?
The InChIKey is MMRDAZWPYFEUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO/c1-15-8-11-20-18(13-15)7-4-12-22(20)21(23)19-10-9-16-5-2-3-6-17(16)14-19/h2-3,5-6,8-11,13-14H,4,7,12H2,1H3.
What are the key properties of (6-methyl-3,4-dihydro-2H-quinolin-1-yl)-naphthalen-2-ylmethanone?
(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-naphthalen-2-ylmethanone has a molecular weight of 301.39 g/mol, XLogP of 4.74, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-3,4-dihydro-2H-quinolin-1-yl)-naphthalen-2-ylmethanone is sourced from PubChem (CID 26083928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).