(3-methylphenyl)-(1,2,3,4-tetrahydroacridin-9-yl)methanone

C21H19NO — CID 21239885

IUPAC(3-methylphenyl)-(1,2,3,4-tetrahydroacridin-9-yl)methanone
SMILESCc1cccc(C(=O)c2c3c(nc4ccccc24)CCCC3)c1
InChIInChI=1S/C21H19NO/c1-14-7-6-8-15(13-14)21(23)20-16-9-2-4-11-18(16)22-19-12-5-3-10-17(19)20/h2,4,6-9,11,13H,3,5,10,12H2,1H3
InChIKeyMRMCPNPBJMEHHP-UHFFFAOYSA-N
MW301.39 g/mol
LogP4.65
Rot. Bonds2

About (3-methylphenyl)-(1,2,3,4-tetrahydroacridin-9-yl)methanone

(3-methylphenyl)-(1,2,3,4-tetrahydroacridin-9-yl)methanone (PubChem CID 21239885) has the molecular formula C21H19NO and a molecular weight of 301.39 g/mol. Its IUPAC name is (3-methylphenyl)-(1,2,3,4-tetrahydroacridin-9-yl)methanone.

Molecular Properties

Compound Name(3-methylphenyl)-(1,2,3,4-tetrahydroacridin-9-yl)methanone
PubChem CID21239885
Molecular FormulaC21H19NO
Molecular Weight301.39 g/mol
Exact Mass301.15
IUPAC Name(3-methylphenyl)-(1,2,3,4-tetrahydroacridin-9-yl)methanone
SMILESCc1cccc(C(=O)c2c3c(nc4ccccc24)CCCC3)c1
InChIInChI=1S/C21H19NO/c1-14-7-6-8-15(13-14)21(23)20-16-9-2-4-11-18(16)22-19-12-5-3-10-17(19)20/h2,4,6-9,11,13H,3,5,10,12H2,1H3
InChIKeyMRMCPNPBJMEHHP-UHFFFAOYSA-N
XLogP4.65
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3-methylphenyl)-(1,2,3,4-tetrahydroacridin-9-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,5-dimethylphenyl)-(1,2,3,4-tetrahydroacridin-9-yl)methanone
CID 21239890
(4-methoxyphenyl)-(1,2,3,4-tetrahydroacridin-9-yl)methanone
CID 21239887
1,2,3,4-tetrahydroacridine-9-carboxylic acid;hydrate
CID 16667447
7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
CID 752870
N'-(4-methylbenzoyl)-1,2,3,4-tetrahydroacridine-9-carbohydrazide
CID 9247855
N-phenyl-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 775717
piperidin-1-yl(1,2,3,4-tetrahydroacridin-9-yl)methanone
CID 23499
N-(3-methylphenyl)-12-azatricyclo[9.8.0.013,18]nonadeca-1(19),11,13,15,17-pentaen-19-amine
CID 134912890
(4-tert-butyl-2-methylphenyl) 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 2518632
2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbohydrazide
CID 14385689
N,N-bis(2-hydroxyethyl)-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 21239903
N'-phenyl-1,2,3,4-tetrahydroacridine-9-carbohydrazide
CID 21203873

Frequently Asked Questions

What is the IUPAC name of (3-methylphenyl)-(1,2,3,4-tetrahydroacridin-9-yl)methanone?
The IUPAC name of (3-methylphenyl)-(1,2,3,4-tetrahydroacridin-9-yl)methanone (CID 21239885) is (3-methylphenyl)-(1,2,3,4-tetrahydroacridin-9-yl)methanone.
What is the SMILES notation for (3-methylphenyl)-(1,2,3,4-tetrahydroacridin-9-yl)methanone?
The canonical SMILES for (3-methylphenyl)-(1,2,3,4-tetrahydroacridin-9-yl)methanone is Cc1cccc(C(=O)c2c3c(nc4ccccc24)CCCC3)c1.
What is the InChIKey of (3-methylphenyl)-(1,2,3,4-tetrahydroacridin-9-yl)methanone?
The InChIKey is MRMCPNPBJMEHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO/c1-14-7-6-8-15(13-14)21(23)20-16-9-2-4-11-18(16)22-19-12-5-3-10-17(19)20/h2,4,6-9,11,13H,3,5,10,12H2,1H3.
What are the key properties of (3-methylphenyl)-(1,2,3,4-tetrahydroacridin-9-yl)methanone?
(3-methylphenyl)-(1,2,3,4-tetrahydroacridin-9-yl)methanone has a molecular weight of 301.39 g/mol, XLogP of 4.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylphenyl)-(1,2,3,4-tetrahydroacridin-9-yl)methanone is sourced from PubChem (CID 21239885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).