methyl 6-[(1-chloro-5-methoxy-9-oxo-10H-acridine-4-carbonyl)amino]hexanoate

C22H23ClN2O5 — CID 175384871

IUPACmethyl 6-[(1-chloro-5-methoxy-9-oxo-10H-acridine-4-carbonyl)amino]hexanoate
SMILESCOC(=O)CCCCCNC(=O)c1ccc(Cl)c2c(=O)c3cccc(OC)c3[nH]c12
InChIInChI=1S/C22H23ClN2O5/c1-29-16-8-6-7-13-19(16)25-20-14(10-11-15(23)18(20)21(13)27)22(28)24-12-5-3-4-9-17(26)30-2/h6-8,10-11H,3-5,9,12H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyQZIXMWXPGXJPPF-UHFFFAOYSA-N
MW430.89 g/mol
LogP3.81
Rot. Bonds8

About methyl 6-[(1-chloro-5-methoxy-9-oxo-10H-acridine-4-carbonyl)amino]hexanoate

methyl 6-[(1-chloro-5-methoxy-9-oxo-10H-acridine-4-carbonyl)amino]hexanoate (PubChem CID 175384871) has the molecular formula C22H23ClN2O5 and a molecular weight of 430.89 g/mol. Its IUPAC name is methyl 6-[(1-chloro-5-methoxy-9-oxo-10H-acridine-4-carbonyl)amino]hexanoate.

Molecular Properties

Compound Namemethyl 6-[(1-chloro-5-methoxy-9-oxo-10H-acridine-4-carbonyl)amino]hexanoate
PubChem CID175384871
Molecular FormulaC22H23ClN2O5
Molecular Weight430.89 g/mol
Exact Mass430.13
IUPAC Namemethyl 6-[(1-chloro-5-methoxy-9-oxo-10H-acridine-4-carbonyl)amino]hexanoate
SMILESCOC(=O)CCCCCNC(=O)c1ccc(Cl)c2c(=O)c3cccc(OC)c3[nH]c12
InChIInChI=1S/C22H23ClN2O5/c1-29-16-8-6-7-13-19(16)25-20-14(10-11-15(23)18(20)21(13)27)22(28)24-12-5-3-4-9-17(26)30-2/h6-8,10-11H,3-5,9,12H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyQZIXMWXPGXJPPF-UHFFFAOYSA-N
XLogP3.81
TPSA97.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.89
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

7-[(1-chloro-5-methoxy-9-oxo-10H-acridine-4-carbonyl)amino]heptanoic acid
CID 175384877
1-chloro-5-methoxy-9-oxo-10H-acridine-4-carboxamide;methyl hexanoate
CID 175605047
1-chloro-N-[2-[2-[2-[(1-chloro-9-oxo-10H-acridine-4-carbonyl)amino]ethyl-methylamino]ethyl-methylamino]ethyl]-9-oxo-10H-acridine-4-carboxamide
CID 11125305
1-[bis(pyridin-2-ylmethyl)amino]-N-[2-(dimethylamino)ethyl]-5-methoxy-9-oxo-10H-acridine-4-carboxamide
CID 118730892
methyl 6-[(4-chloropyridine-3-carbonyl)amino]hexanoate
CID 103871236
N-[3-(dimethylamino)propyl]-8-methoxy-4-oxo-1H-quinoline-3-carboxamide
CID 91641164
methyl 6-[(2-oxo-1H-pyridine-3-carbonyl)amino]hexanoate
CID 31842152
methyl 4-[(2-oxo-1H-quinoline-4-carbonyl)amino]butanoate
CID 29131557
methyl 6-[(3-chlorobenzoyl)amino]hexanoate
CID 43404554
methyl 6-[(3-hydroxy-2-methylbenzoyl)amino]hexanoate
CID 82786633
N-(6-bromohexyl)-2,3-dimethoxybenzamide
CID 107847510
methyl 4-[(1-chloroisoquinoline-4-carbonyl)amino]butanoate
CID 106766075

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(1-chloro-5-methoxy-9-oxo-10H-acridine-4-carbonyl)amino]hexanoate?
The IUPAC name of methyl 6-[(1-chloro-5-methoxy-9-oxo-10H-acridine-4-carbonyl)amino]hexanoate (CID 175384871) is methyl 6-[(1-chloro-5-methoxy-9-oxo-10H-acridine-4-carbonyl)amino]hexanoate.
What is the SMILES notation for methyl 6-[(1-chloro-5-methoxy-9-oxo-10H-acridine-4-carbonyl)amino]hexanoate?
The canonical SMILES for methyl 6-[(1-chloro-5-methoxy-9-oxo-10H-acridine-4-carbonyl)amino]hexanoate is COC(=O)CCCCCNC(=O)c1ccc(Cl)c2c(=O)c3cccc(OC)c3[nH]c12.
What is the InChIKey of methyl 6-[(1-chloro-5-methoxy-9-oxo-10H-acridine-4-carbonyl)amino]hexanoate?
The InChIKey is QZIXMWXPGXJPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O5/c1-29-16-8-6-7-13-19(16)25-20-14(10-11-15(23)18(20)21(13)27)22(28)24-12-5-3-4-9-17(26)30-2/h6-8,10-11H,3-5,9,12H2,1-2H3,(H,24,28)(H,25,27).
What are the key properties of methyl 6-[(1-chloro-5-methoxy-9-oxo-10H-acridine-4-carbonyl)amino]hexanoate?
methyl 6-[(1-chloro-5-methoxy-9-oxo-10H-acridine-4-carbonyl)amino]hexanoate has a molecular weight of 430.89 g/mol, XLogP of 3.81, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(1-chloro-5-methoxy-9-oxo-10H-acridine-4-carbonyl)amino]hexanoate is sourced from PubChem (CID 175384871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).