2-chloro-6-methyl-11-(4-methyl-1,4-diazepan-1-yl)indolo[2,3-b]quinoline

C22H23ClN4 — CID 70690525

IUPAC2-chloro-6-methyl-11-(4-methyl-1,4-diazepan-1-yl)indolo[2,3-b]quinoline
SMILESCN1CCCN(c2c3cc(Cl)ccc3nc3c2c2ccccc2n3C)CC1
InChIInChI=1S/C22H23ClN4/c1-25-10-5-11-27(13-12-25)21-17-14-15(23)8-9-18(17)24-22-20(21)16-6-3-4-7-19(16)26(22)2/h3-4,6-9,14H,5,10-13H2,1-2H3
InChIKeyBMOVADJLKMAVPB-UHFFFAOYSA-N
MW378.91 g/mol
LogP4.68
Rot. Bonds1

About 2-chloro-6-methyl-11-(4-methyl-1,4-diazepan-1-yl)indolo[2,3-b]quinoline

2-chloro-6-methyl-11-(4-methyl-1,4-diazepan-1-yl)indolo[2,3-b]quinoline (PubChem CID 70690525) has the molecular formula C22H23ClN4 and a molecular weight of 378.91 g/mol. Its IUPAC name is 2-chloro-6-methyl-11-(4-methyl-1,4-diazepan-1-yl)indolo[2,3-b]quinoline.

Molecular Properties

Compound Name2-chloro-6-methyl-11-(4-methyl-1,4-diazepan-1-yl)indolo[2,3-b]quinoline
PubChem CID70690525
Molecular FormulaC22H23ClN4
Molecular Weight378.91 g/mol
Exact Mass378.16
IUPAC Name2-chloro-6-methyl-11-(4-methyl-1,4-diazepan-1-yl)indolo[2,3-b]quinoline
SMILESCN1CCCN(c2c3cc(Cl)ccc3nc3c2c2ccccc2n3C)CC1
InChIInChI=1S/C22H23ClN4/c1-25-10-5-11-27(13-12-25)21-17-14-15(23)8-9-18(17)24-22-20(21)16-6-3-4-7-19(16)26(22)2/h3-4,6-9,14H,5,10-13H2,1-2H3
InChIKeyBMOVADJLKMAVPB-UHFFFAOYSA-N
XLogP4.68
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.91
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 46830487
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CID 46830489
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CID 873559
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CID 945022
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CID 25190880
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CID 940283
CID 940283

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-11-(4-methyl-1,4-diazepan-1-yl)indolo[2,3-b]quinoline?
The IUPAC name of 2-chloro-6-methyl-11-(4-methyl-1,4-diazepan-1-yl)indolo[2,3-b]quinoline (CID 70690525) is 2-chloro-6-methyl-11-(4-methyl-1,4-diazepan-1-yl)indolo[2,3-b]quinoline.
What is the SMILES notation for 2-chloro-6-methyl-11-(4-methyl-1,4-diazepan-1-yl)indolo[2,3-b]quinoline?
The canonical SMILES for 2-chloro-6-methyl-11-(4-methyl-1,4-diazepan-1-yl)indolo[2,3-b]quinoline is CN1CCCN(c2c3cc(Cl)ccc3nc3c2c2ccccc2n3C)CC1.
What is the InChIKey of 2-chloro-6-methyl-11-(4-methyl-1,4-diazepan-1-yl)indolo[2,3-b]quinoline?
The InChIKey is BMOVADJLKMAVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4/c1-25-10-5-11-27(13-12-25)21-17-14-15(23)8-9-18(17)24-22-20(21)16-6-3-4-7-19(16)26(22)2/h3-4,6-9,14H,5,10-13H2,1-2H3.
What are the key properties of 2-chloro-6-methyl-11-(4-methyl-1,4-diazepan-1-yl)indolo[2,3-b]quinoline?
2-chloro-6-methyl-11-(4-methyl-1,4-diazepan-1-yl)indolo[2,3-b]quinoline has a molecular weight of 378.91 g/mol, XLogP of 4.68, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-11-(4-methyl-1,4-diazepan-1-yl)indolo[2,3-b]quinoline is sourced from PubChem (CID 70690525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).