7-decyl-9-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroacridine

C31H41NO — CID 22367590

IUPAC7-decyl-9-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroacridine
SMILESCCCCCCCCCCc1ccc2nc3c(c(Cc4ccc(OC)cc4)c2c1)CCCC3
InChIInChI=1S/C31H41NO/c1-3-4-5-6-7-8-9-10-13-24-18-21-31-29(23-24)28(27-14-11-12-15-30(27)32-31)22-25-16-19-26(33-2)20-17-25/h16-21,23H,3-15,22H2,1-2H3
InChIKeyCVAVHWNFWBSZJS-UHFFFAOYSA-N
MW443.68 g/mol
LogP8.40
Rot. Bonds12

About 7-decyl-9-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroacridine

7-decyl-9-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroacridine (PubChem CID 22367590) has the molecular formula C31H41NO and a molecular weight of 443.68 g/mol. Its IUPAC name is 7-decyl-9-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroacridine.

Molecular Properties

Compound Name7-decyl-9-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroacridine
PubChem CID22367590
Molecular FormulaC31H41NO
Molecular Weight443.68 g/mol
Exact Mass443.32
IUPAC Name7-decyl-9-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroacridine
SMILESCCCCCCCCCCc1ccc2nc3c(c(Cc4ccc(OC)cc4)c2c1)CCCC3
InChIInChI=1S/C31H41NO/c1-3-4-5-6-7-8-9-10-13-24-18-21-31-29(23-24)28(27-14-11-12-15-30(27)32-31)22-25-16-19-26(33-2)20-17-25/h16-21,23H,3-15,22H2,1-2H3
InChIKeyCVAVHWNFWBSZJS-UHFFFAOYSA-N
XLogP8.40
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.68
LogP ≤ 58.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)propanoic acid
CID 82452010
(7-methoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methanethiol
CID 82451972
2-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)acetic acid
CID 82452003
2-chloro-6-hexyl-4-methylquinoline
CID 86217058
N-[8-(3,5-dimethoxyphenyl)octyl]-1,2,3,4-tetrahydroacridin-9-amine
CID 166636017
(7-propyl-1,2,3,4-tetrahydroacridin-9-yl)hydrazine
CID 63484235
N-ethyl-2-propyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine
CID 63480371
N-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)hydroxylamine
CID 21192892
2-(7-ethyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)acetonitrile
CID 82450438
6,9-dimethoxy-1,2,3,4-tetrahydroacridine
CID 71019681
(4-methoxyphenyl)-phenylmethanone;(4-octylphenyl)-phenylmethanone
CID 67686863
1-methoxy-4-(5-pentoxypentyl)benzene
CID 54554044

Frequently Asked Questions

What is the IUPAC name of 7-decyl-9-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroacridine?
The IUPAC name of 7-decyl-9-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroacridine (CID 22367590) is 7-decyl-9-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroacridine.
What is the SMILES notation for 7-decyl-9-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroacridine?
The canonical SMILES for 7-decyl-9-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroacridine is CCCCCCCCCCc1ccc2nc3c(c(Cc4ccc(OC)cc4)c2c1)CCCC3.
What is the InChIKey of 7-decyl-9-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroacridine?
The InChIKey is CVAVHWNFWBSZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H41NO/c1-3-4-5-6-7-8-9-10-13-24-18-21-31-29(23-24)28(27-14-11-12-15-30(27)32-31)22-25-16-19-26(33-2)20-17-25/h16-21,23H,3-15,22H2,1-2H3.
What are the key properties of 7-decyl-9-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroacridine?
7-decyl-9-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroacridine has a molecular weight of 443.68 g/mol, XLogP of 8.40, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-decyl-9-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroacridine is sourced from PubChem (CID 22367590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).