(2,5-dimethylphenyl)-(1,2,3,4-tetrahydroacridin-9-yl)methanone

C22H21NO — CID 21239890

IUPAC(2,5-dimethylphenyl)-(1,2,3,4-tetrahydroacridin-9-yl)methanone
SMILESCc1ccc(C)c(C(=O)c2c3c(nc4ccccc24)CCCC3)c1
InChIInChI=1S/C22H21NO/c1-14-11-12-15(2)18(13-14)22(24)21-16-7-3-5-9-19(16)23-20-10-6-4-8-17(20)21/h3,5,7,9,11-13H,4,6,8,10H2,1-2H3
InChIKeyKVQHJAPFELXZTK-UHFFFAOYSA-N
MW315.42 g/mol
LogP4.96
Rot. Bonds2

About (2,5-dimethylphenyl)-(1,2,3,4-tetrahydroacridin-9-yl)methanone

(2,5-dimethylphenyl)-(1,2,3,4-tetrahydroacridin-9-yl)methanone (PubChem CID 21239890) has the molecular formula C22H21NO and a molecular weight of 315.42 g/mol. Its IUPAC name is (2,5-dimethylphenyl)-(1,2,3,4-tetrahydroacridin-9-yl)methanone.

Molecular Properties

Compound Name(2,5-dimethylphenyl)-(1,2,3,4-tetrahydroacridin-9-yl)methanone
PubChem CID21239890
Molecular FormulaC22H21NO
Molecular Weight315.42 g/mol
Exact Mass315.16
IUPAC Name(2,5-dimethylphenyl)-(1,2,3,4-tetrahydroacridin-9-yl)methanone
SMILESCc1ccc(C)c(C(=O)c2c3c(nc4ccccc24)CCCC3)c1
InChIInChI=1S/C22H21NO/c1-14-11-12-15(2)18(13-14)22(24)21-16-7-3-5-9-19(16)23-20-10-6-4-8-17(20)21/h3,5,7,9,11-13H,4,6,8,10H2,1-2H3
InChIKeyKVQHJAPFELXZTK-UHFFFAOYSA-N
XLogP4.96
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-methylphenyl)-(1,2,3,4-tetrahydroacridin-9-yl)methanone
CID 21239885
N'-(4-methylbenzoyl)-1,2,3,4-tetrahydroacridine-9-carbohydrazide
CID 9247855
(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-phenyl-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 775717
N-cycloheptyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxamide
CID 2451567
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
propan-2-yl 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 16600366
N-(4-hydroxyphenyl)-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 3678676

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylphenyl)-(1,2,3,4-tetrahydroacridin-9-yl)methanone?
The IUPAC name of (2,5-dimethylphenyl)-(1,2,3,4-tetrahydroacridin-9-yl)methanone (CID 21239890) is (2,5-dimethylphenyl)-(1,2,3,4-tetrahydroacridin-9-yl)methanone.
What is the SMILES notation for (2,5-dimethylphenyl)-(1,2,3,4-tetrahydroacridin-9-yl)methanone?
The canonical SMILES for (2,5-dimethylphenyl)-(1,2,3,4-tetrahydroacridin-9-yl)methanone is Cc1ccc(C)c(C(=O)c2c3c(nc4ccccc24)CCCC3)c1.
What is the InChIKey of (2,5-dimethylphenyl)-(1,2,3,4-tetrahydroacridin-9-yl)methanone?
The InChIKey is KVQHJAPFELXZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO/c1-14-11-12-15(2)18(13-14)22(24)21-16-7-3-5-9-19(16)23-20-10-6-4-8-17(20)21/h3,5,7,9,11-13H,4,6,8,10H2,1-2H3.
What are the key properties of (2,5-dimethylphenyl)-(1,2,3,4-tetrahydroacridin-9-yl)methanone?
(2,5-dimethylphenyl)-(1,2,3,4-tetrahydroacridin-9-yl)methanone has a molecular weight of 315.42 g/mol, XLogP of 4.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylphenyl)-(1,2,3,4-tetrahydroacridin-9-yl)methanone is sourced from PubChem (CID 21239890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).