1,4-dichloro-5-(methylamino)-10H-anthracen-9-one

C15H11Cl2NO — CID 139259834

IUPAC1,4-dichloro-5-(methylamino)-10H-anthracen-9-one
SMILESCNc1cccc2c1Cc1c(Cl)ccc(Cl)c1C2=O
InChIInChI=1S/C15H11Cl2NO/c1-18-13-4-2-3-8-9(13)7-10-11(16)5-6-12(17)14(10)15(8)19/h2-6,18H,7H2,1H3
InChIKeyQOJOMCVUGVOOIQ-UHFFFAOYSA-N
MW292.17 g/mol
LogP4.17
Rot. Bonds1

About 1,4-dichloro-5-(methylamino)-10H-anthracen-9-one

1,4-dichloro-5-(methylamino)-10H-anthracen-9-one (PubChem CID 139259834) has the molecular formula C15H11Cl2NO and a molecular weight of 292.17 g/mol. Its IUPAC name is 1,4-dichloro-5-(methylamino)-10H-anthracen-9-one.

Molecular Properties

Compound Name1,4-dichloro-5-(methylamino)-10H-anthracen-9-one
PubChem CID139259834
Molecular FormulaC15H11Cl2NO
Molecular Weight292.17 g/mol
Exact Mass291.02
IUPAC Name1,4-dichloro-5-(methylamino)-10H-anthracen-9-one
SMILESCNc1cccc2c1Cc1c(Cl)ccc(Cl)c1C2=O
InChIInChI=1S/C15H11Cl2NO/c1-18-13-4-2-3-8-9(13)7-10-11(16)5-6-12(17)14(10)15(8)19/h2-6,18H,7H2,1H3
InChIKeyQOJOMCVUGVOOIQ-UHFFFAOYSA-N
XLogP4.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.17
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4-dichloro-5-(methylamino)-10H-anthracen-9-one?
The IUPAC name of 1,4-dichloro-5-(methylamino)-10H-anthracen-9-one (CID 139259834) is 1,4-dichloro-5-(methylamino)-10H-anthracen-9-one.
What is the SMILES notation for 1,4-dichloro-5-(methylamino)-10H-anthracen-9-one?
The canonical SMILES for 1,4-dichloro-5-(methylamino)-10H-anthracen-9-one is CNc1cccc2c1Cc1c(Cl)ccc(Cl)c1C2=O.
What is the InChIKey of 1,4-dichloro-5-(methylamino)-10H-anthracen-9-one?
The InChIKey is QOJOMCVUGVOOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2NO/c1-18-13-4-2-3-8-9(13)7-10-11(16)5-6-12(17)14(10)15(8)19/h2-6,18H,7H2,1H3.
What are the key properties of 1,4-dichloro-5-(methylamino)-10H-anthracen-9-one?
1,4-dichloro-5-(methylamino)-10H-anthracen-9-one has a molecular weight of 292.17 g/mol, XLogP of 4.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dichloro-5-(methylamino)-10H-anthracen-9-one is sourced from PubChem (CID 139259834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).