1-chloro-5-(pentylamino)anthracene-9,10-dione

C19H18ClNO2 — CID 70610528

IUPAC1-chloro-5-(pentylamino)anthracene-9,10-dione
SMILESCCCCCNc1cccc2c1C(=O)c1cccc(Cl)c1C2=O
InChIInChI=1S/C19H18ClNO2/c1-2-3-4-11-21-15-10-6-8-13-17(15)19(23)12-7-5-9-14(20)16(12)18(13)22/h5-10,21H,2-4,11H2,1H3
InChIKeyRUDYUFHZPIQCOV-UHFFFAOYSA-N
MW327.81 g/mol
LogP4.72
Rot. Bonds5

About 1-chloro-5-(pentylamino)anthracene-9,10-dione

1-chloro-5-(pentylamino)anthracene-9,10-dione (PubChem CID 70610528) has the molecular formula C19H18ClNO2 and a molecular weight of 327.81 g/mol. Its IUPAC name is 1-chloro-5-(pentylamino)anthracene-9,10-dione.

Molecular Properties

Compound Name1-chloro-5-(pentylamino)anthracene-9,10-dione
PubChem CID70610528
Molecular FormulaC19H18ClNO2
Molecular Weight327.81 g/mol
Exact Mass327.10
IUPAC Name1-chloro-5-(pentylamino)anthracene-9,10-dione
SMILESCCCCCNc1cccc2c1C(=O)c1cccc(Cl)c1C2=O
InChIInChI=1S/C19H18ClNO2/c1-2-3-4-11-21-15-10-6-8-13-17(15)19(23)12-7-5-9-14(20)16(12)18(13)22/h5-10,21H,2-4,11H2,1H3
InChIKeyRUDYUFHZPIQCOV-UHFFFAOYSA-N
XLogP4.72
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.81
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[[9,10-dioxo-5-[3-(trimethylazaniumyl)propylamino]anthracen-1-yl]amino]propyl-trimethylazanium
CID 169006737
3-chloro-2-methyl-N-octylaniline
CID 43129192
6-chloro-1-(propylamino)anthracene-9,10-dione
CID 21419216
1,5-bis[3-(dimethylamino)propylamino]anthracene-9,10-dione;dihydrochloride
CID 131875153
5-chloro-2,3-dipentoxynaphthalene-1,4-dione
CID 23038590
1-amino-5-(3-hydroxypropylamino)anthracene-9,10-dione;propan-1-ol
CID 143008891
3-chloro-1-N-hexylbenzene-1,2-diamine
CID 104834589
3-chloro-2-fluoro-N-octylaniline
CID 43129398
3-chloro-1-N-decylbenzene-1,2-diamine
CID 104834723
2-[[9,10-dioxo-5-[2-(triethylazaniumyl)ethylamino]anthracen-1-yl]amino]ethyl-triethylazanium
CID 67449890
1-chloro-8-(2,2-diethoxyethylamino)anthracene-9,10-dione
CID 10022257
3-chloro-2-N,2-N-dimethyl-1-N-pentylbenzene-1,2-diamine
CID 43739667

Frequently Asked Questions

What is the IUPAC name of 1-chloro-5-(pentylamino)anthracene-9,10-dione?
The IUPAC name of 1-chloro-5-(pentylamino)anthracene-9,10-dione (CID 70610528) is 1-chloro-5-(pentylamino)anthracene-9,10-dione.
What is the SMILES notation for 1-chloro-5-(pentylamino)anthracene-9,10-dione?
The canonical SMILES for 1-chloro-5-(pentylamino)anthracene-9,10-dione is CCCCCNc1cccc2c1C(=O)c1cccc(Cl)c1C2=O.
What is the InChIKey of 1-chloro-5-(pentylamino)anthracene-9,10-dione?
The InChIKey is RUDYUFHZPIQCOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClNO2/c1-2-3-4-11-21-15-10-6-8-13-17(15)19(23)12-7-5-9-14(20)16(12)18(13)22/h5-10,21H,2-4,11H2,1H3.
What are the key properties of 1-chloro-5-(pentylamino)anthracene-9,10-dione?
1-chloro-5-(pentylamino)anthracene-9,10-dione has a molecular weight of 327.81 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-5-(pentylamino)anthracene-9,10-dione is sourced from PubChem (CID 70610528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).