2-chloro-5-methyl-11-(4-piperidin-1-ylpiperidin-1-yl)indolo[2,3-b]quinoline

C26H29ClN4 — CID 42637389

IUPAC2-chloro-5-methyl-11-(4-piperidin-1-ylpiperidin-1-yl)indolo[2,3-b]quinoline
SMILESCn1c2nc3ccccc3c-2c(N2CCC(N3CCCCC3)CC2)c2cc(Cl)ccc21
InChIInChI=1S/C26H29ClN4/c1-29-23-10-9-18(27)17-21(23)25(24-20-7-3-4-8-22(20)28-26(24)29)31-15-11-19(12-16-31)30-13-5-2-6-14-30/h3-4,7-10,17,19H,2,5-6,11-16H2,1H3
InChIKeyJSGLMNBFLGDEIL-UHFFFAOYSA-N
MW433.00 g/mol
LogP5.94
Rot. Bonds2

About 2-chloro-5-methyl-11-(4-piperidin-1-ylpiperidin-1-yl)indolo[2,3-b]quinoline

2-chloro-5-methyl-11-(4-piperidin-1-ylpiperidin-1-yl)indolo[2,3-b]quinoline (PubChem CID 42637389) has the molecular formula C26H29ClN4 and a molecular weight of 433.00 g/mol. Its IUPAC name is 2-chloro-5-methyl-11-(4-piperidin-1-ylpiperidin-1-yl)indolo[2,3-b]quinoline.

Molecular Properties

Compound Name2-chloro-5-methyl-11-(4-piperidin-1-ylpiperidin-1-yl)indolo[2,3-b]quinoline
PubChem CID42637389
Molecular FormulaC26H29ClN4
Molecular Weight433.00 g/mol
Exact Mass432.21
IUPAC Name2-chloro-5-methyl-11-(4-piperidin-1-ylpiperidin-1-yl)indolo[2,3-b]quinoline
SMILESCn1c2nc3ccccc3c-2c(N2CCC(N3CCCCC3)CC2)c2cc(Cl)ccc21
InChIInChI=1S/C26H29ClN4/c1-29-23-10-9-18(27)17-21(23)25(24-20-7-3-4-8-22(20)28-26(24)29)31-15-11-19(12-16-31)30-13-5-2-6-14-30/h3-4,7-10,17,19H,2,5-6,11-16H2,1H3
InChIKeyJSGLMNBFLGDEIL-UHFFFAOYSA-N
XLogP5.94
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.00
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-chloro-5-methyl-11-(4-piperidin-1-ylpiperidin-1-yl)indolo[2,3-b]quinoline with MolForge

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Related Compounds

PF 9366-Bio-X
CID 12612431
6-Chloro-4-Phenyl-2-(Piperidin-1-Yl)-3-(1h-Tetrazol-5-Yl)quinoline
CID 71556425
(e)-4-(6-Chloro-2-(2-(6-(pyrrolidin-1-yl)pyridin-2-yl)vinyl)quinazolin-4-yl)morpholine
CID 72706537
4-(6-Chloro-2-(2-(6-(pyrrolidin-1-yl)pyridin-2-yl)ethyl)quinazolin-4-yl)morpholine
CID 72706603
9-Chloro-6-ethyl-6H-indolo(2,3-b)quinoxaline
CID 1523680
9-Chloro-6-methylindolo[3,2-b]quinoxaline
CID 3155707
2-Chloro-5-methylindolo[2,3-b]quinoline
CID 42637230
6-Chloro-2-(4-methylpiperazin-1-yl)-4-phenylquinazoline
CID 659436
5-(3-Chloro-phenyl)-7-(4-dimethylamino-phenyl)-pyrido[2,3-d]pyrimidin-4-ylamine
CID 9842604
7-(2,4-Dichlorophenyl)-2-heptan-4-yl-10-methyl-2,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene
CID 10159031
2-(2,4-Dichlorophenyl)-7-heptan-4-yl-10-methyl-2,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene
CID 10180350
2-N-(4-chloro-2-methylphenyl)-4-N-methyl-4-N-phenylquinazoline-2,4-diamine
CID 10384828

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methyl-11-(4-piperidin-1-ylpiperidin-1-yl)indolo[2,3-b]quinoline?
The IUPAC name of 2-chloro-5-methyl-11-(4-piperidin-1-ylpiperidin-1-yl)indolo[2,3-b]quinoline (CID 42637389) is 2-chloro-5-methyl-11-(4-piperidin-1-ylpiperidin-1-yl)indolo[2,3-b]quinoline.
What is the SMILES notation for 2-chloro-5-methyl-11-(4-piperidin-1-ylpiperidin-1-yl)indolo[2,3-b]quinoline?
The canonical SMILES for 2-chloro-5-methyl-11-(4-piperidin-1-ylpiperidin-1-yl)indolo[2,3-b]quinoline is Cn1c2nc3ccccc3c-2c(N2CCC(N3CCCCC3)CC2)c2cc(Cl)ccc21.
What is the InChIKey of 2-chloro-5-methyl-11-(4-piperidin-1-ylpiperidin-1-yl)indolo[2,3-b]quinoline?
The InChIKey is JSGLMNBFLGDEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClN4/c1-29-23-10-9-18(27)17-21(23)25(24-20-7-3-4-8-22(20)28-26(24)29)31-15-11-19(12-16-31)30-13-5-2-6-14-30/h3-4,7-10,17,19H,2,5-6,11-16H2,1H3.
What are the key properties of 2-chloro-5-methyl-11-(4-piperidin-1-ylpiperidin-1-yl)indolo[2,3-b]quinoline?
2-chloro-5-methyl-11-(4-piperidin-1-ylpiperidin-1-yl)indolo[2,3-b]quinoline has a molecular weight of 433.00 g/mol, XLogP of 5.94, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methyl-11-(4-piperidin-1-ylpiperidin-1-yl)indolo[2,3-b]quinoline is sourced from PubChem (CID 42637389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).