8-chloro-5-[2-(dimethylamino)ethyl]-7H-indolo[2,3-c]quinolin-6-one

C19H18ClN3O — CID 21445445

IUPAC8-chloro-5-[2-(dimethylamino)ethyl]-7H-indolo[2,3-c]quinolin-6-one
SMILESCN(C)CCn1c(=O)c2[nH]c3c(Cl)cccc3c2c2ccccc21
InChIInChI=1S/C19H18ClN3O/c1-22(2)10-11-23-15-9-4-3-6-12(15)16-13-7-5-8-14(20)17(13)21-18(16)19(23)24/h3-9,21H,10-11H2,1-2H3
InChIKeyIZRPXIHLYRCMDU-UHFFFAOYSA-N
MW339.83 g/mol
LogP3.85
Rot. Bonds3

About 8-chloro-5-[2-(dimethylamino)ethyl]-7H-indolo[2,3-c]quinolin-6-one

8-chloro-5-[2-(dimethylamino)ethyl]-7H-indolo[2,3-c]quinolin-6-one (PubChem CID 21445445) has the molecular formula C19H18ClN3O and a molecular weight of 339.83 g/mol. Its IUPAC name is 8-chloro-5-[2-(dimethylamino)ethyl]-7H-indolo[2,3-c]quinolin-6-one.

Molecular Properties

Compound Name8-chloro-5-[2-(dimethylamino)ethyl]-7H-indolo[2,3-c]quinolin-6-one
PubChem CID21445445
Molecular FormulaC19H18ClN3O
Molecular Weight339.83 g/mol
Exact Mass339.11
IUPAC Name8-chloro-5-[2-(dimethylamino)ethyl]-7H-indolo[2,3-c]quinolin-6-one
SMILESCN(C)CCn1c(=O)c2[nH]c3c(Cl)cccc3c2c2ccccc21
InChIInChI=1S/C19H18ClN3O/c1-22(2)10-11-23-15-9-4-3-6-12(15)16-13-7-5-8-14(20)17(13)21-18(16)19(23)24/h3-9,21H,10-11H2,1-2H3
InChIKeyIZRPXIHLYRCMDU-UHFFFAOYSA-N
XLogP3.85
TPSA41.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.83
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-5-[2-(dimethylamino)ethyl]-7H-indolo[2,3-c]quinolin-6-one?
The IUPAC name of 8-chloro-5-[2-(dimethylamino)ethyl]-7H-indolo[2,3-c]quinolin-6-one (CID 21445445) is 8-chloro-5-[2-(dimethylamino)ethyl]-7H-indolo[2,3-c]quinolin-6-one.
What is the SMILES notation for 8-chloro-5-[2-(dimethylamino)ethyl]-7H-indolo[2,3-c]quinolin-6-one?
The canonical SMILES for 8-chloro-5-[2-(dimethylamino)ethyl]-7H-indolo[2,3-c]quinolin-6-one is CN(C)CCn1c(=O)c2[nH]c3c(Cl)cccc3c2c2ccccc21.
What is the InChIKey of 8-chloro-5-[2-(dimethylamino)ethyl]-7H-indolo[2,3-c]quinolin-6-one?
The InChIKey is IZRPXIHLYRCMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O/c1-22(2)10-11-23-15-9-4-3-6-12(15)16-13-7-5-8-14(20)17(13)21-18(16)19(23)24/h3-9,21H,10-11H2,1-2H3.
What are the key properties of 8-chloro-5-[2-(dimethylamino)ethyl]-7H-indolo[2,3-c]quinolin-6-one?
8-chloro-5-[2-(dimethylamino)ethyl]-7H-indolo[2,3-c]quinolin-6-one has a molecular weight of 339.83 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-5-[2-(dimethylamino)ethyl]-7H-indolo[2,3-c]quinolin-6-one is sourced from PubChem (CID 21445445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).