4-(6-chloro-2-methoxyacridin-9-yl)sulfanyl-N,N-diethylbutan-1-amine

C22H27ClN2OS — CID 10431251

IUPAC4-(6-chloro-2-methoxyacridin-9-yl)sulfanyl-N,N-diethylbutan-1-amine
SMILESCCN(CC)CCCCSc1c2ccc(Cl)cc2nc2ccc(OC)cc12
InChIInChI=1S/C22H27ClN2OS/c1-4-25(5-2)12-6-7-13-27-22-18-10-8-16(23)14-21(18)24-20-11-9-17(26-3)15-19(20)22/h8-11,14-15H,4-7,12-13H2,1-3H3
InChIKeyRIQDQOLVJKPUKG-UHFFFAOYSA-N
MW402.99 g/mol
LogP6.26
Rot. Bonds9

About 4-(6-chloro-2-methoxyacridin-9-yl)sulfanyl-N,N-diethylbutan-1-amine

4-(6-chloro-2-methoxyacridin-9-yl)sulfanyl-N,N-diethylbutan-1-amine (PubChem CID 10431251) has the molecular formula C22H27ClN2OS and a molecular weight of 402.99 g/mol. Its IUPAC name is 4-(6-chloro-2-methoxyacridin-9-yl)sulfanyl-N,N-diethylbutan-1-amine.

Molecular Properties

Compound Name4-(6-chloro-2-methoxyacridin-9-yl)sulfanyl-N,N-diethylbutan-1-amine
PubChem CID10431251
Molecular FormulaC22H27ClN2OS
Molecular Weight402.99 g/mol
Exact Mass402.15
IUPAC Name4-(6-chloro-2-methoxyacridin-9-yl)sulfanyl-N,N-diethylbutan-1-amine
SMILESCCN(CC)CCCCSc1c2ccc(Cl)cc2nc2ccc(OC)cc12
InChIInChI=1S/C22H27ClN2OS/c1-4-25(5-2)12-6-7-13-27-22-18-10-8-16(23)14-21(18)24-20-11-9-17(26-3)15-19(20)22/h8-11,14-15H,4-7,12-13H2,1-3H3
InChIKeyRIQDQOLVJKPUKG-UHFFFAOYSA-N
XLogP6.26
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.99
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N-(6-chloro-2-methoxyacridin-9-yl)-N',N'-diethyl-N-methylbutane-1,4-diamine
CID 71471687
N-(6-chloro-2-methoxyacridin-9-yl)-N',N'-diethylbutane-1,4-diamine
CID 22709
N-(6-chloro-2-methoxyacridin-9-yl)-N',N'-diethylhexane-1,6-diamine
CID 15329153
(4S)-4-N-(6-chloro-2-methoxyacridin-9-yl)-1-N,1-N-diethylpentane-1,4-diamine;dihydrochloride
CID 76971372
butane;4-N-(6-chloro-2-methoxyacridin-9-yl)-1-N,1-N-diethylpentane-1,4-diamine
CID 176972900
(4S)-4-N-(6-chloro-2-methoxyacridin-9-yl)-1-N,1-N-diethylpentane-1,4-diamine;dihydrate;dihydrochloride
CID 6604502
3-(2,7-dimethoxyacridin-9-yl)sulfanylpropan-1-amine;hydrochloride
CID 71699942
(1S)-N-(6-chloro-2-methoxyacridin-9-yl)-N',N'-diethyl-1-pyridin-4-ylbutane-1,4-diamine
CID 92858360
4-N-(6-chloro-2-methoxyacridin-9-yl)-1-N,1-N-diethylpentane-1,4-diamine;methanesulfonic acid
CID 23616783
4-N-(6-chloro-2-methoxyacridin-9-yl)-1-N,1-N-diethylpentane-1,4-diamine azide
CID 21151312
3-(2,7-dimethoxyacridin-9-yl)sulfanyl-N-methylpropan-1-amine
CID 53475819
N'-(4-aminobutyl)-N'-(3-aminopropyl)-1-(6-chloro-2-methoxyacridin-9-yl)butane-1,4-diamine
CID 57060050

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-2-methoxyacridin-9-yl)sulfanyl-N,N-diethylbutan-1-amine?
The IUPAC name of 4-(6-chloro-2-methoxyacridin-9-yl)sulfanyl-N,N-diethylbutan-1-amine (CID 10431251) is 4-(6-chloro-2-methoxyacridin-9-yl)sulfanyl-N,N-diethylbutan-1-amine.
What is the SMILES notation for 4-(6-chloro-2-methoxyacridin-9-yl)sulfanyl-N,N-diethylbutan-1-amine?
The canonical SMILES for 4-(6-chloro-2-methoxyacridin-9-yl)sulfanyl-N,N-diethylbutan-1-amine is CCN(CC)CCCCSc1c2ccc(Cl)cc2nc2ccc(OC)cc12.
What is the InChIKey of 4-(6-chloro-2-methoxyacridin-9-yl)sulfanyl-N,N-diethylbutan-1-amine?
The InChIKey is RIQDQOLVJKPUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2OS/c1-4-25(5-2)12-6-7-13-27-22-18-10-8-16(23)14-21(18)24-20-11-9-17(26-3)15-19(20)22/h8-11,14-15H,4-7,12-13H2,1-3H3.
What are the key properties of 4-(6-chloro-2-methoxyacridin-9-yl)sulfanyl-N,N-diethylbutan-1-amine?
4-(6-chloro-2-methoxyacridin-9-yl)sulfanyl-N,N-diethylbutan-1-amine has a molecular weight of 402.99 g/mol, XLogP of 6.26, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-2-methoxyacridin-9-yl)sulfanyl-N,N-diethylbutan-1-amine is sourced from PubChem (CID 10431251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).