N-benzyl-11H-indolo[3,2-c]quinolin-6-amine

C22H17N3 — CID 90670028

IUPACN-benzyl-11H-indolo[3,2-c]quinolin-6-amine
SMILESc1ccc(CNc2nc3ccccc3c3[nH]c4ccccc4c23)cc1
InChIInChI=1S/C22H17N3/c1-2-8-15(9-3-1)14-23-22-20-16-10-4-6-12-18(16)24-21(20)17-11-5-7-13-19(17)25-22/h1-13,24H,14H2,(H,23,25)
InChIKeyPLTLORYTQHAHRX-UHFFFAOYSA-N
MW323.40 g/mol
LogP5.48
Rot. Bonds3

About N-benzyl-11H-indolo[3,2-c]quinolin-6-amine

N-benzyl-11H-indolo[3,2-c]quinolin-6-amine (PubChem CID 90670028) has the molecular formula C22H17N3 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-benzyl-11H-indolo[3,2-c]quinolin-6-amine.

Molecular Properties

Compound NameN-benzyl-11H-indolo[3,2-c]quinolin-6-amine
PubChem CID90670028
Molecular FormulaC22H17N3
Molecular Weight323.40 g/mol
Exact Mass323.14
IUPAC NameN-benzyl-11H-indolo[3,2-c]quinolin-6-amine
SMILESc1ccc(CNc2nc3ccccc3c3[nH]c4ccccc4c23)cc1
InChIInChI=1S/C22H17N3/c1-2-8-15(9-3-1)14-23-22-20-16-10-4-6-12-18(16)24-21(20)17-11-5-7-13-19(17)25-22/h1-13,24H,14H2,(H,23,25)
InChIKeyPLTLORYTQHAHRX-UHFFFAOYSA-N
XLogP5.48
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.40
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-11H-indolo[3,2-c]quinolin-6-amine?
The IUPAC name of N-benzyl-11H-indolo[3,2-c]quinolin-6-amine (CID 90670028) is N-benzyl-11H-indolo[3,2-c]quinolin-6-amine.
What is the SMILES notation for N-benzyl-11H-indolo[3,2-c]quinolin-6-amine?
The canonical SMILES for N-benzyl-11H-indolo[3,2-c]quinolin-6-amine is c1ccc(CNc2nc3ccccc3c3[nH]c4ccccc4c23)cc1.
What is the InChIKey of N-benzyl-11H-indolo[3,2-c]quinolin-6-amine?
The InChIKey is PLTLORYTQHAHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3/c1-2-8-15(9-3-1)14-23-22-20-16-10-4-6-12-18(16)24-21(20)17-11-5-7-13-19(17)25-22/h1-13,24H,14H2,(H,23,25).
What are the key properties of N-benzyl-11H-indolo[3,2-c]quinolin-6-amine?
N-benzyl-11H-indolo[3,2-c]quinolin-6-amine has a molecular weight of 323.40 g/mol, XLogP of 5.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-11H-indolo[3,2-c]quinolin-6-amine is sourced from PubChem (CID 90670028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).