6-chloro-2-methoxy-9-(3-phenylpropyl)acridine

C23H20ClNO — CID 141333744

IUPAC6-chloro-2-methoxy-9-(3-phenylpropyl)acridine
SMILESCOc1ccc2nc3cc(Cl)ccc3c(CCCc3ccccc3)c2c1
InChIInChI=1S/C23H20ClNO/c1-26-18-11-13-22-21(15-18)19(9-5-8-16-6-3-2-4-7-16)20-12-10-17(24)14-23(20)25-22/h2-4,6-7,10-15H,5,8-9H2,1H3
InChIKeyYISYZMMIPFYMFB-UHFFFAOYSA-N
MW361.87 g/mol
LogP6.23
Rot. Bonds5

About 6-chloro-2-methoxy-9-(3-phenylpropyl)acridine

6-chloro-2-methoxy-9-(3-phenylpropyl)acridine (PubChem CID 141333744) has the molecular formula C23H20ClNO and a molecular weight of 361.87 g/mol. Its IUPAC name is 6-chloro-2-methoxy-9-(3-phenylpropyl)acridine.

Molecular Properties

Compound Name6-chloro-2-methoxy-9-(3-phenylpropyl)acridine
PubChem CID141333744
Molecular FormulaC23H20ClNO
Molecular Weight361.87 g/mol
Exact Mass361.12
IUPAC Name6-chloro-2-methoxy-9-(3-phenylpropyl)acridine
SMILESCOc1ccc2nc3cc(Cl)ccc3c(CCCc3ccccc3)c2c1
InChIInChI=1S/C23H20ClNO/c1-26-18-11-13-22-21(15-18)19(9-5-8-16-6-3-2-4-7-16)20-12-10-17(24)14-23(20)25-22/h2-4,6-7,10-15H,5,8-9H2,1H3
InChIKeyYISYZMMIPFYMFB-UHFFFAOYSA-N
XLogP6.23
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.87
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis(6-chloro-2-methoxyacridin-9-yl)nonane-1,9-diamine
CID 158996243
9-(benzenesulfonyl)-6-chloro-2-methoxyacridine
CID 11417730
6-chloro-2-methoxy-N,N-dimethylacridin-9-amine
CID 71406674
N'-(aminomethyl)methanediamine;2-(6-chloro-2-methoxyacridin-9-yl)-N-[2-(6-chloro-2-methoxyacridin-9-yl)ethyl]ethanamine;2-(6-chloro-2-methoxyacridin-9-yl)-N-[2-(6-chloro-2-methoxyacridin-9-yl)ethyl]-N-methylethanamine;6,9-dichloro-2-methoxyacridine
CID 158044046
N-butyl-6-chloro-2-methoxyacridin-9-amine;ethane
CID 166169543
6-chloro-2-methoxy-9-(1H-pyrrol-2-yl)acridine
CID 162418858
6-chloro-2-methoxy-N-octylacridin-9-amine
CID 44537218
6-chloro-9-[1-(6-chloro-2-methoxyacridin-9-yl)acridin-2-yl]-2-methoxyacridine
CID 172780494
N'-(6-chloro-2-methoxyacridin-9-yl)heptane-1,7-diamine
CID 511167
N-(6-chloro-2-methoxyacridin-9-yl)-N',N'-diethyl-N-methylbutane-1,4-diamine
CID 71471687
6-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methoxy-N-methylacridin-9-amine
CID 4831555
1-chloro-3-[4-(4-methoxyphenyl)butyl]benzene
CID 131860651

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methoxy-9-(3-phenylpropyl)acridine?
The IUPAC name of 6-chloro-2-methoxy-9-(3-phenylpropyl)acridine (CID 141333744) is 6-chloro-2-methoxy-9-(3-phenylpropyl)acridine.
What is the SMILES notation for 6-chloro-2-methoxy-9-(3-phenylpropyl)acridine?
The canonical SMILES for 6-chloro-2-methoxy-9-(3-phenylpropyl)acridine is COc1ccc2nc3cc(Cl)ccc3c(CCCc3ccccc3)c2c1.
What is the InChIKey of 6-chloro-2-methoxy-9-(3-phenylpropyl)acridine?
The InChIKey is YISYZMMIPFYMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClNO/c1-26-18-11-13-22-21(15-18)19(9-5-8-16-6-3-2-4-7-16)20-12-10-17(24)14-23(20)25-22/h2-4,6-7,10-15H,5,8-9H2,1H3.
What are the key properties of 6-chloro-2-methoxy-9-(3-phenylpropyl)acridine?
6-chloro-2-methoxy-9-(3-phenylpropyl)acridine has a molecular weight of 361.87 g/mol, XLogP of 6.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methoxy-9-(3-phenylpropyl)acridine is sourced from PubChem (CID 141333744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).