2-(3,4-dimethyl-9H-acridin-10-yl)acetaldehyde

C17H17NO — CID 165040020

IUPAC2-(3,4-dimethyl-9H-acridin-10-yl)acetaldehyde
SMILESCc1ccc2c(c1C)N(CC=O)c1ccccc1C2
InChIInChI=1S/C17H17NO/c1-12-7-8-15-11-14-5-3-4-6-16(14)18(9-10-19)17(15)13(12)2/h3-8,10H,9,11H2,1-2H3
InChIKeyTZRQJURDHCRECA-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.54
Rot. Bonds2

About 2-(3,4-dimethyl-9H-acridin-10-yl)acetaldehyde

2-(3,4-dimethyl-9H-acridin-10-yl)acetaldehyde (PubChem CID 165040020) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(3,4-dimethyl-9H-acridin-10-yl)acetaldehyde.

Molecular Properties

Compound Name2-(3,4-dimethyl-9H-acridin-10-yl)acetaldehyde
PubChem CID165040020
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name2-(3,4-dimethyl-9H-acridin-10-yl)acetaldehyde
SMILESCc1ccc2c(c1C)N(CC=O)c1ccccc1C2
InChIInChI=1S/C17H17NO/c1-12-7-8-15-11-14-5-3-4-6-16(14)18(9-10-19)17(15)13(12)2/h3-8,10H,9,11H2,1-2H3
InChIKeyTZRQJURDHCRECA-UHFFFAOYSA-N
XLogP3.54
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-[4-(dimethylamino)-3-methyl-9H-acridin-10-yl]acetic acid
CID 155723778
2-(3-methyl-2-oxo-4H-quinazolin-1-yl)acetaldehyde
CID 82009959
1-ethyl-6,7-dimethyl-3H-indol-2-one
CID 14003261
10-propyl-9H-acridine
CID 71122947
4,10-dimethyl-9H-acridine
CID 159483382
9H-acridin-10-ylmethanol
CID 23521289
10-(2-nitrosoethyl)-9H-acridine
CID 167169061
methyl 3-(9H-acridin-10-yl)propanoate
CID 129155450
12,14,18,20-tetramethyl-12,20-diazaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(17),2(15),3,6,8,10,13,18,21,23,25,28-dodecaene
CID 71004422
1-[(4-methylphenyl)methyl]-3H-indol-2-one
CID 82083873
1-(dimethylphosphorylmethyl)-2-methylidene-3H-indole
CID 59441561
1-(2,6-dimethylphenyl)-3H-indol-2-one
CID 82044310

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethyl-9H-acridin-10-yl)acetaldehyde?
The IUPAC name of 2-(3,4-dimethyl-9H-acridin-10-yl)acetaldehyde (CID 165040020) is 2-(3,4-dimethyl-9H-acridin-10-yl)acetaldehyde.
What is the SMILES notation for 2-(3,4-dimethyl-9H-acridin-10-yl)acetaldehyde?
The canonical SMILES for 2-(3,4-dimethyl-9H-acridin-10-yl)acetaldehyde is Cc1ccc2c(c1C)N(CC=O)c1ccccc1C2.
What is the InChIKey of 2-(3,4-dimethyl-9H-acridin-10-yl)acetaldehyde?
The InChIKey is TZRQJURDHCRECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c1-12-7-8-15-11-14-5-3-4-6-16(14)18(9-10-19)17(15)13(12)2/h3-8,10H,9,11H2,1-2H3.
What are the key properties of 2-(3,4-dimethyl-9H-acridin-10-yl)acetaldehyde?
2-(3,4-dimethyl-9H-acridin-10-yl)acetaldehyde has a molecular weight of 251.33 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethyl-9H-acridin-10-yl)acetaldehyde is sourced from PubChem (CID 165040020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).