7-[(1-chloro-5-methoxy-9-oxo-10H-acridine-4-carbonyl)amino]heptanoic acid

C22H23ClN2O5 — CID 175384877

IUPAC7-[(1-chloro-5-methoxy-9-oxo-10H-acridine-4-carbonyl)amino]heptanoic acid
SMILESCOc1cccc2c(=O)c3c(Cl)ccc(C(=O)NCCCCCCC(=O)O)c3[nH]c12
InChIInChI=1S/C22H23ClN2O5/c1-30-16-8-6-7-13-19(16)25-20-14(10-11-15(23)18(20)21(13)28)22(29)24-12-5-3-2-4-9-17(26)27/h6-8,10-11H,2-5,9,12H2,1H3,(H,24,29)(H,25,28)(H,26,27)
InChIKeyLGUHLDBOLKCEQJ-UHFFFAOYSA-N
MW430.89 g/mol
LogP4.11
Rot. Bonds9

About 7-[(1-chloro-5-methoxy-9-oxo-10H-acridine-4-carbonyl)amino]heptanoic acid

7-[(1-chloro-5-methoxy-9-oxo-10H-acridine-4-carbonyl)amino]heptanoic acid (PubChem CID 175384877) has the molecular formula C22H23ClN2O5 and a molecular weight of 430.89 g/mol. Its IUPAC name is 7-[(1-chloro-5-methoxy-9-oxo-10H-acridine-4-carbonyl)amino]heptanoic acid.

Molecular Properties

Compound Name7-[(1-chloro-5-methoxy-9-oxo-10H-acridine-4-carbonyl)amino]heptanoic acid
PubChem CID175384877
Molecular FormulaC22H23ClN2O5
Molecular Weight430.89 g/mol
Exact Mass430.13
IUPAC Name7-[(1-chloro-5-methoxy-9-oxo-10H-acridine-4-carbonyl)amino]heptanoic acid
SMILESCOc1cccc2c(=O)c3c(Cl)ccc(C(=O)NCCCCCCC(=O)O)c3[nH]c12
InChIInChI=1S/C22H23ClN2O5/c1-30-16-8-6-7-13-19(16)25-20-14(10-11-15(23)18(20)21(13)28)22(29)24-12-5-3-2-4-9-17(26)27/h6-8,10-11H,2-5,9,12H2,1H3,(H,24,29)(H,25,28)(H,26,27)
InChIKeyLGUHLDBOLKCEQJ-UHFFFAOYSA-N
XLogP4.11
TPSA108.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.89
LogP ≤ 54.11
H-Bond Donors ≤ 53
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

methyl 6-[(1-chloro-5-methoxy-9-oxo-10H-acridine-4-carbonyl)amino]hexanoate
CID 175384871
11-[(2-methoxybenzoyl)amino]undecanoic acid
CID 20625360
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
5-[[2-(difluoromethoxy)-3-methoxybenzoyl]amino]pentanoic acid
CID 119234605
N-[3-(dimethylamino)propyl]-8-methoxy-4-oxo-1H-quinoline-3-carboxamide
CID 91641164
6-(naphthalene-1-carbonylamino)hexanoic acid
CID 14196780
6-[(2-chloro-4-fluorobenzoyl)amino]hexanoic acid
CID 16782062
7-[(2-chloro-4-methylbenzoyl)amino]heptanoic acid
CID 106860475
5-[(3-chloro-4,5-dimethoxybenzoyl)amino]pentanoic acid
CID 62032676
N-(4-chloro-2-pyridinyl)-5-methoxy-9-oxo-10H-acridine-4-carboxamide
CID 46202553
8-[(2-chloro-6-fluorobenzoyl)amino]octanoic acid
CID 10663193

Frequently Asked Questions

What is the IUPAC name of 7-[(1-chloro-5-methoxy-9-oxo-10H-acridine-4-carbonyl)amino]heptanoic acid?
The IUPAC name of 7-[(1-chloro-5-methoxy-9-oxo-10H-acridine-4-carbonyl)amino]heptanoic acid (CID 175384877) is 7-[(1-chloro-5-methoxy-9-oxo-10H-acridine-4-carbonyl)amino]heptanoic acid.
What is the SMILES notation for 7-[(1-chloro-5-methoxy-9-oxo-10H-acridine-4-carbonyl)amino]heptanoic acid?
The canonical SMILES for 7-[(1-chloro-5-methoxy-9-oxo-10H-acridine-4-carbonyl)amino]heptanoic acid is COc1cccc2c(=O)c3c(Cl)ccc(C(=O)NCCCCCCC(=O)O)c3[nH]c12.
What is the InChIKey of 7-[(1-chloro-5-methoxy-9-oxo-10H-acridine-4-carbonyl)amino]heptanoic acid?
The InChIKey is LGUHLDBOLKCEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O5/c1-30-16-8-6-7-13-19(16)25-20-14(10-11-15(23)18(20)21(13)28)22(29)24-12-5-3-2-4-9-17(26)27/h6-8,10-11H,2-5,9,12H2,1H3,(H,24,29)(H,25,28)(H,26,27).
What are the key properties of 7-[(1-chloro-5-methoxy-9-oxo-10H-acridine-4-carbonyl)amino]heptanoic acid?
7-[(1-chloro-5-methoxy-9-oxo-10H-acridine-4-carbonyl)amino]heptanoic acid has a molecular weight of 430.89 g/mol, XLogP of 4.11, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1-chloro-5-methoxy-9-oxo-10H-acridine-4-carbonyl)amino]heptanoic acid is sourced from PubChem (CID 175384877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).