7-(2-aminoethyl)-10-chloro-5-methylindolo[2,3-c]quinolin-6-one

C18H16ClN3O — CID 21445450

IUPAC7-(2-aminoethyl)-10-chloro-5-methylindolo[2,3-c]quinolin-6-one
SMILESCn1c(=O)c2c(c3ccccc31)c1cc(Cl)ccc1n2CCN
InChIInChI=1S/C18H16ClN3O/c1-21-14-5-3-2-4-12(14)16-13-10-11(19)6-7-15(13)22(9-8-20)17(16)18(21)23/h2-7,10H,8-9,20H2,1H3
InChIKeyRAHQEOWIKXFLDV-UHFFFAOYSA-N
MW325.80 g/mol
LogP3.26
Rot. Bonds2

About 7-(2-aminoethyl)-10-chloro-5-methylindolo[2,3-c]quinolin-6-one

7-(2-aminoethyl)-10-chloro-5-methylindolo[2,3-c]quinolin-6-one (PubChem CID 21445450) has the molecular formula C18H16ClN3O and a molecular weight of 325.80 g/mol. Its IUPAC name is 7-(2-aminoethyl)-10-chloro-5-methylindolo[2,3-c]quinolin-6-one.

Molecular Properties

Compound Name7-(2-aminoethyl)-10-chloro-5-methylindolo[2,3-c]quinolin-6-one
PubChem CID21445450
Molecular FormulaC18H16ClN3O
Molecular Weight325.80 g/mol
Exact Mass325.10
IUPAC Name7-(2-aminoethyl)-10-chloro-5-methylindolo[2,3-c]quinolin-6-one
SMILESCn1c(=O)c2c(c3ccccc31)c1cc(Cl)ccc1n2CCN
InChIInChI=1S/C18H16ClN3O/c1-21-14-5-3-2-4-12(14)16-13-10-11(19)6-7-15(13)22(9-8-20)17(16)18(21)23/h2-7,10H,8-9,20H2,1H3
InChIKeyRAHQEOWIKXFLDV-UHFFFAOYSA-N
XLogP3.26
TPSA52.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(2-aminoethyl)-10-chloro-5-methylindolo[2,3-c]quinolin-6-one?
The IUPAC name of 7-(2-aminoethyl)-10-chloro-5-methylindolo[2,3-c]quinolin-6-one (CID 21445450) is 7-(2-aminoethyl)-10-chloro-5-methylindolo[2,3-c]quinolin-6-one.
What is the SMILES notation for 7-(2-aminoethyl)-10-chloro-5-methylindolo[2,3-c]quinolin-6-one?
The canonical SMILES for 7-(2-aminoethyl)-10-chloro-5-methylindolo[2,3-c]quinolin-6-one is Cn1c(=O)c2c(c3ccccc31)c1cc(Cl)ccc1n2CCN.
What is the InChIKey of 7-(2-aminoethyl)-10-chloro-5-methylindolo[2,3-c]quinolin-6-one?
The InChIKey is RAHQEOWIKXFLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O/c1-21-14-5-3-2-4-12(14)16-13-10-11(19)6-7-15(13)22(9-8-20)17(16)18(21)23/h2-7,10H,8-9,20H2,1H3.
What are the key properties of 7-(2-aminoethyl)-10-chloro-5-methylindolo[2,3-c]quinolin-6-one?
7-(2-aminoethyl)-10-chloro-5-methylindolo[2,3-c]quinolin-6-one has a molecular weight of 325.80 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-aminoethyl)-10-chloro-5-methylindolo[2,3-c]quinolin-6-one is sourced from PubChem (CID 21445450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).