N-(1-methylpiperidin-4-yl)-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinolin-4-amine

C22H23N5 — CID 135145499

IUPACN-(1-methylpiperidin-4-yl)-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinolin-4-amine
SMILESCN1CCC(Nc2ccnc3ccc(-c4c[nH]c5ncccc45)cc23)CC1
InChIInChI=1S/C22H23N5/c1-27-11-7-16(8-12-27)26-21-6-10-23-20-5-4-15(13-18(20)21)19-14-25-22-17(19)3-2-9-24-22/h2-6,9-10,13-14,16H,7-8,11-12H2,1H3,(H,23,26)(H,24,25)
InChIKeyKHQYSWUSDRSLMP-UHFFFAOYSA-N
MW357.46 g/mol
LogP4.28
Rot. Bonds3

About N-(1-methylpiperidin-4-yl)-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinolin-4-amine

N-(1-methylpiperidin-4-yl)-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinolin-4-amine (PubChem CID 135145499) has the molecular formula C22H23N5 and a molecular weight of 357.46 g/mol. Its IUPAC name is N-(1-methylpiperidin-4-yl)-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinolin-4-amine.

Molecular Properties

Compound NameN-(1-methylpiperidin-4-yl)-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinolin-4-amine
PubChem CID135145499
Molecular FormulaC22H23N5
Molecular Weight357.46 g/mol
Exact Mass357.20
IUPAC NameN-(1-methylpiperidin-4-yl)-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinolin-4-amine
SMILESCN1CCC(Nc2ccnc3ccc(-c4c[nH]c5ncccc45)cc23)CC1
InChIInChI=1S/C22H23N5/c1-27-11-7-16(8-12-27)26-21-6-10-23-20-5-4-15(13-18(20)21)19-14-25-22-17(19)3-2-9-24-22/h2-6,9-10,13-14,16H,7-8,11-12H2,1H3,(H,23,26)(H,24,25)
InChIKeyKHQYSWUSDRSLMP-UHFFFAOYSA-N
XLogP4.28
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylpiperidin-4-yl)-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinolin-4-amine?
The IUPAC name of N-(1-methylpiperidin-4-yl)-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinolin-4-amine (CID 135145499) is N-(1-methylpiperidin-4-yl)-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinolin-4-amine.
What is the SMILES notation for N-(1-methylpiperidin-4-yl)-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinolin-4-amine?
The canonical SMILES for N-(1-methylpiperidin-4-yl)-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinolin-4-amine is CN1CCC(Nc2ccnc3ccc(-c4c[nH]c5ncccc45)cc23)CC1.
What is the InChIKey of N-(1-methylpiperidin-4-yl)-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinolin-4-amine?
The InChIKey is KHQYSWUSDRSLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5/c1-27-11-7-16(8-12-27)26-21-6-10-23-20-5-4-15(13-18(20)21)19-14-25-22-17(19)3-2-9-24-22/h2-6,9-10,13-14,16H,7-8,11-12H2,1H3,(H,23,26)(H,24,25).
What are the key properties of N-(1-methylpiperidin-4-yl)-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinolin-4-amine?
N-(1-methylpiperidin-4-yl)-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinolin-4-amine has a molecular weight of 357.46 g/mol, XLogP of 4.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpiperidin-4-yl)-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinolin-4-amine is sourced from PubChem (CID 135145499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).