6-chloro-2-methoxy-9-(1H-pyrrol-2-yl)acridine

C18H13ClN2O — CID 162418858

IUPAC6-chloro-2-methoxy-9-(1H-pyrrol-2-yl)acridine
SMILESCOc1ccc2nc3cc(Cl)ccc3c(-c3ccc[nH]3)c2c1
InChIInChI=1S/C18H13ClN2O/c1-22-12-5-7-15-14(10-12)18(16-3-2-8-20-16)13-6-4-11(19)9-17(13)21-15/h2-10,20H,1H3
InChIKeyXXSRFPYTLTZGHR-UHFFFAOYSA-N
MW308.77 g/mol
LogP5.05
Rot. Bonds2

About 6-chloro-2-methoxy-9-(1H-pyrrol-2-yl)acridine

6-chloro-2-methoxy-9-(1H-pyrrol-2-yl)acridine (PubChem CID 162418858) has the molecular formula C18H13ClN2O and a molecular weight of 308.77 g/mol. Its IUPAC name is 6-chloro-2-methoxy-9-(1H-pyrrol-2-yl)acridine.

Molecular Properties

Compound Name6-chloro-2-methoxy-9-(1H-pyrrol-2-yl)acridine
PubChem CID162418858
Molecular FormulaC18H13ClN2O
Molecular Weight308.77 g/mol
Exact Mass308.07
IUPAC Name6-chloro-2-methoxy-9-(1H-pyrrol-2-yl)acridine
SMILESCOc1ccc2nc3cc(Cl)ccc3c(-c3ccc[nH]3)c2c1
InChIInChI=1S/C18H13ClN2O/c1-22-12-5-7-15-14(10-12)18(16-3-2-8-20-16)13-6-4-11(19)9-17(13)21-15/h2-10,20H,1H3
InChIKeyXXSRFPYTLTZGHR-UHFFFAOYSA-N
XLogP5.05
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.77
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-9-[1-(6-chloro-2-methoxyacridin-9-yl)acridin-2-yl]-2-methoxyacridine
CID 172780494
6-chloro-2-methoxy-N,N-dimethylacridin-9-amine
CID 71406674
9-(benzenesulfonyl)-6-chloro-2-methoxyacridine
CID 11417730
N,N'-bis(6-chloro-2-methoxyacridin-9-yl)nonane-1,9-diamine
CID 158996243
6-chloro-2-methoxy-9-(3-phenylpropyl)acridine
CID 141333744
4-N-(6-chloro-2-methoxyacridin-9-yl)benzene-1,4-diamine
CID 56666124
1-(6-chloro-2-methoxyacridin-9-yl)piperidin-4-ol
CID 71595103
1-N,2-N-bis(6-chloro-2-methoxyacridin-9-yl)cyclohexane-1,2-diamine
CID 10393752
N-butyl-6-chloro-2-methoxyacridin-9-amine;ethane
CID 166169543
N'-(6-chloro-2-methoxyacridin-9-yl)heptane-1,7-diamine
CID 511167
6-chloro-2-methoxy-N-octylacridin-9-amine
CID 44537218
N-(6-chloro-2-methoxyacridin-9-yl)-N'-methoxy-N'-methylethane-1,2-diamine
CID 170597932

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methoxy-9-(1H-pyrrol-2-yl)acridine?
The IUPAC name of 6-chloro-2-methoxy-9-(1H-pyrrol-2-yl)acridine (CID 162418858) is 6-chloro-2-methoxy-9-(1H-pyrrol-2-yl)acridine.
What is the SMILES notation for 6-chloro-2-methoxy-9-(1H-pyrrol-2-yl)acridine?
The canonical SMILES for 6-chloro-2-methoxy-9-(1H-pyrrol-2-yl)acridine is COc1ccc2nc3cc(Cl)ccc3c(-c3ccc[nH]3)c2c1.
What is the InChIKey of 6-chloro-2-methoxy-9-(1H-pyrrol-2-yl)acridine?
The InChIKey is XXSRFPYTLTZGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN2O/c1-22-12-5-7-15-14(10-12)18(16-3-2-8-20-16)13-6-4-11(19)9-17(13)21-15/h2-10,20H,1H3.
What are the key properties of 6-chloro-2-methoxy-9-(1H-pyrrol-2-yl)acridine?
6-chloro-2-methoxy-9-(1H-pyrrol-2-yl)acridine has a molecular weight of 308.77 g/mol, XLogP of 5.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methoxy-9-(1H-pyrrol-2-yl)acridine is sourced from PubChem (CID 162418858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).