2-[(1-ethylpyrrolidin-3-yl)methyl]-7-pyrazol-1-yl-3H-imidazo[4,5-c]quinoline

C20H22N6 — CID 175821448

IUPAC2-[(1-ethylpyrrolidin-3-yl)methyl]-7-pyrazol-1-yl-3H-imidazo[4,5-c]quinoline
SMILESCCN1CCC(Cc2nc3c(cnc4cc(-n5cccn5)ccc43)[nH]2)C1
InChIInChI=1S/C20H22N6/c1-2-25-9-6-14(13-25)10-19-23-18-12-21-17-11-15(26-8-3-7-22-26)4-5-16(17)20(18)24-19/h3-5,7-8,11-12,14H,2,6,9-10,13H2,1H3,(H,23,24)
InChIKeyPIURQSKYOTUECU-UHFFFAOYSA-N
MW346.44 g/mol
LogP3.18
Rot. Bonds4

About 2-[(1-ethylpyrrolidin-3-yl)methyl]-7-pyrazol-1-yl-3H-imidazo[4,5-c]quinoline

2-[(1-ethylpyrrolidin-3-yl)methyl]-7-pyrazol-1-yl-3H-imidazo[4,5-c]quinoline (PubChem CID 175821448) has the molecular formula C20H22N6 and a molecular weight of 346.44 g/mol. Its IUPAC name is 2-[(1-ethylpyrrolidin-3-yl)methyl]-7-pyrazol-1-yl-3H-imidazo[4,5-c]quinoline.

Molecular Properties

Compound Name2-[(1-ethylpyrrolidin-3-yl)methyl]-7-pyrazol-1-yl-3H-imidazo[4,5-c]quinoline
PubChem CID175821448
Molecular FormulaC20H22N6
Molecular Weight346.44 g/mol
Exact Mass346.19
IUPAC Name2-[(1-ethylpyrrolidin-3-yl)methyl]-7-pyrazol-1-yl-3H-imidazo[4,5-c]quinoline
SMILESCCN1CCC(Cc2nc3c(cnc4cc(-n5cccn5)ccc43)[nH]2)C1
InChIInChI=1S/C20H22N6/c1-2-25-9-6-14(13-25)10-19-23-18-12-21-17-11-15(26-8-3-7-22-26)4-5-16(17)20(18)24-19/h3-5,7-8,11-12,14H,2,6,9-10,13H2,1H3,(H,23,24)
InChIKeyPIURQSKYOTUECU-UHFFFAOYSA-N
XLogP3.18
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethoxy-7-pyrazol-1-ylquinoline
CID 155778831
2-[(1-ethylpyrrolidin-3-yl)methyl]-3-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117161232
2-[(1-ethylpyrrolidin-3-yl)methyl]imidazo[1,2-a]pyridin-8-ol
CID 117136102
3-[[(3S)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]methyl]quinoline
CID 95828196
2-[(1-ethylpyrrolidin-3-yl)methyl]-3-propylimidazo[4,5-b]pyridine
CID 117161335
5-bromo-3-[(1-ethylpyrrolidin-3-yl)methyl]imidazo[1,5-a]pyridine
CID 117141395
[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]methanamine
CID 115090087
2-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]acetaldehyde
CID 115090061
2-(cyclopropylmethoxy)-4-pyrazol-1-ylaniline
CID 138753383
1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119917477
2-[(1-ethylpyrrolidin-3-yl)methyl]-7-methoxy-[1,2,4]triazolo[1,5-a]pyridine
CID 117133730
2-[(1-ethylpyrrolidin-3-yl)methyl]-8-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 117136107

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylpyrrolidin-3-yl)methyl]-7-pyrazol-1-yl-3H-imidazo[4,5-c]quinoline?
The IUPAC name of 2-[(1-ethylpyrrolidin-3-yl)methyl]-7-pyrazol-1-yl-3H-imidazo[4,5-c]quinoline (CID 175821448) is 2-[(1-ethylpyrrolidin-3-yl)methyl]-7-pyrazol-1-yl-3H-imidazo[4,5-c]quinoline.
What is the SMILES notation for 2-[(1-ethylpyrrolidin-3-yl)methyl]-7-pyrazol-1-yl-3H-imidazo[4,5-c]quinoline?
The canonical SMILES for 2-[(1-ethylpyrrolidin-3-yl)methyl]-7-pyrazol-1-yl-3H-imidazo[4,5-c]quinoline is CCN1CCC(Cc2nc3c(cnc4cc(-n5cccn5)ccc43)[nH]2)C1.
What is the InChIKey of 2-[(1-ethylpyrrolidin-3-yl)methyl]-7-pyrazol-1-yl-3H-imidazo[4,5-c]quinoline?
The InChIKey is PIURQSKYOTUECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6/c1-2-25-9-6-14(13-25)10-19-23-18-12-21-17-11-15(26-8-3-7-22-26)4-5-16(17)20(18)24-19/h3-5,7-8,11-12,14H,2,6,9-10,13H2,1H3,(H,23,24).
What are the key properties of 2-[(1-ethylpyrrolidin-3-yl)methyl]-7-pyrazol-1-yl-3H-imidazo[4,5-c]quinoline?
2-[(1-ethylpyrrolidin-3-yl)methyl]-7-pyrazol-1-yl-3H-imidazo[4,5-c]quinoline has a molecular weight of 346.44 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylpyrrolidin-3-yl)methyl]-7-pyrazol-1-yl-3H-imidazo[4,5-c]quinoline is sourced from PubChem (CID 175821448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).