2-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-6H-indolo[2,3-b]quinolin-11-amine

C22H23ClN4 — CID 42637455

IUPAC2-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-6H-indolo[2,3-b]quinolin-11-amine
SMILESCCN1CCCC1CNc1c2cc(Cl)ccc2nc2[nH]c3ccccc3c12
InChIInChI=1S/C22H23ClN4/c1-2-27-11-5-6-15(27)13-24-21-17-12-14(23)9-10-19(17)26-22-20(21)16-7-3-4-8-18(16)25-22/h3-4,7-10,12,15H,2,5-6,11,13H2,1H3,(H2,24,25,26)
InChIKeyUXWBASMIMIMPDC-UHFFFAOYSA-N
MW378.91 g/mol
LogP5.42
Rot. Bonds4

About 2-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-6H-indolo[2,3-b]quinolin-11-amine

2-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-6H-indolo[2,3-b]quinolin-11-amine (PubChem CID 42637455) has the molecular formula C22H23ClN4 and a molecular weight of 378.91 g/mol. Its IUPAC name is 2-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-6H-indolo[2,3-b]quinolin-11-amine.

Molecular Properties

Compound Name2-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-6H-indolo[2,3-b]quinolin-11-amine
PubChem CID42637455
Molecular FormulaC22H23ClN4
Molecular Weight378.91 g/mol
Exact Mass378.16
IUPAC Name2-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-6H-indolo[2,3-b]quinolin-11-amine
SMILESCCN1CCCC1CNc1c2cc(Cl)ccc2nc2[nH]c3ccccc3c12
InChIInChI=1S/C22H23ClN4/c1-2-27-11-5-6-15(27)13-24-21-17-12-14(23)9-10-19(17)26-22-20(21)16-7-3-4-8-18(16)25-22/h3-4,7-10,12,15H,2,5-6,11,13H2,1H3,(H2,24,25,26)
InChIKeyUXWBASMIMIMPDC-UHFFFAOYSA-N
XLogP5.42
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.91
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 658787
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Spiro(3H-indole-3,4'-piperidine), 5-chloro-1,2-dihydro-1-(1H-pyrrolo(2,3-d)pyrimidin-4-yl)-
CID 11702853
N'-(11H-indolo(3,2-c)quinolin-6-yl)-N,N-dimethylethane-1,2-diamine
CID 24204050
N-{(1s)-1-[8-Chloro-2-(3-Fluorophenyl)quinolin-3-Yl]ethyl}-9h-Purin-6-Amine
CID 57707893
N~1~-(5-Chloro-1h-Imidazo[4,5-B]pyridin-2-Yl)-N~2~-[(4r)-6,8-Dichloro-1,2,3,4-Tetrahydroquinolin-4-Yl]-N~1~-Methylethane-1,2-Diamine
CID 118878807
(3s)-1-(5-Chloro-1h-Imidazo[4,5-B]pyridin-2-Yl)-N-[(3,5-Dichlorophenyl)methyl]piperidin-3-Amine
CID 118896198
6-(3-chlorophenyl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine
CID 10522705
6-(4-chlorophenyl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine
CID 10618696
1-N-[4-chloro-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine
CID 49830280
(3S)-1-[3-(3-chloro-5-fluorophenyl)-5-(4-fluoro-1H-benzimidazol-2-yl)-4-pyridinyl]pyrrolidin-3-amine
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N'-(8-chloro-5H-pyrimido[5,4-b]indol-4-yl)-N,N-di(propan-2-yl)ethane-1,2-diamine
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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-6H-indolo[2,3-b]quinolin-11-amine?
The IUPAC name of 2-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-6H-indolo[2,3-b]quinolin-11-amine (CID 42637455) is 2-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-6H-indolo[2,3-b]quinolin-11-amine.
What is the SMILES notation for 2-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-6H-indolo[2,3-b]quinolin-11-amine?
The canonical SMILES for 2-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-6H-indolo[2,3-b]quinolin-11-amine is CCN1CCCC1CNc1c2cc(Cl)ccc2nc2[nH]c3ccccc3c12.
What is the InChIKey of 2-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-6H-indolo[2,3-b]quinolin-11-amine?
The InChIKey is UXWBASMIMIMPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4/c1-2-27-11-5-6-15(27)13-24-21-17-12-14(23)9-10-19(17)26-22-20(21)16-7-3-4-8-18(16)25-22/h3-4,7-10,12,15H,2,5-6,11,13H2,1H3,(H2,24,25,26).
What are the key properties of 2-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-6H-indolo[2,3-b]quinolin-11-amine?
2-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-6H-indolo[2,3-b]quinolin-11-amine has a molecular weight of 378.91 g/mol, XLogP of 5.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-6H-indolo[2,3-b]quinolin-11-amine is sourced from PubChem (CID 42637455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).