2-(3,5-dimethyl-1H-pyrazol-4-yl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline

C21H26N4 — CID 25156750

IUPAC2-(3,5-dimethyl-1H-pyrazol-4-yl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline
SMILESCc1n[nH]c(C)c1-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1
InChIInChI=1S/C21H26N4/c1-14-5-4-11-25(14)12-10-17-6-8-19-18(13-17)7-9-20(22-19)21-15(2)23-24-16(21)3/h6-9,13-14H,4-5,10-12H2,1-3H3,(H,23,24)/t14-/m1/s1
InChIKeyVRYZIAQDGOAPGT-CQSZACIVSA-N
MW334.47 g/mol
LogP4.27
Rot. Bonds4

About 2-(3,5-dimethyl-1H-pyrazol-4-yl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline

2-(3,5-dimethyl-1H-pyrazol-4-yl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline (PubChem CID 25156750) has the molecular formula C21H26N4 and a molecular weight of 334.47 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline.

Molecular Properties

Compound Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline
PubChem CID25156750
Molecular FormulaC21H26N4
Molecular Weight334.47 g/mol
Exact Mass334.22
IUPAC Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline
SMILESCc1n[nH]c(C)c1-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1
InChIInChI=1S/C21H26N4/c1-14-5-4-11-25(14)12-10-17-6-8-19-18(13-17)7-9-20(22-19)21-15(2)23-24-16(21)3/h6-9,13-14H,4-5,10-12H2,1-3H3,(H,23,24)/t14-/m1/s1
InChIKeyVRYZIAQDGOAPGT-CQSZACIVSA-N
XLogP4.27
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-[6-[2-(2-methylpyrrolidin-1-yl)ethyl]quinolin-2-yl]-1,8-naphthyridine
CID 11574500
2-(6-chloro-3-pyridinyl)-6-[2-(2-methylpyrrolidin-1-yl)ethyl]quinoline
CID 87964253
2-(5-chloro-1-methyl-3-phenylpyrazol-4-yl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline
CID 11618861
4-methyl-5-[4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,3-thiazol-2-yl]thiadiazole
CID 11633172
(2R)-2-methyl-1-[2-[6-(4-methylphenyl)naphthalen-2-yl]ethyl]pyrrolidine
CID 11602364
3-chloro-6-[6-[2-(2-methylpyrrolidin-1-yl)ethyl]naphthalen-2-yl]pyridazine
CID 76529530
7-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-phenylquinoxaline
CID 10403546
6-[2-[(2S)-2-methylpyrrolidin-1-yl]ethyl]-2-pyridin-3-ylquinazoline
CID 11723421
2-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]naphthalen-2-yl]-1,3-thiazole
CID 52917809
6-(2,6-dimethyl-3-pyridinyl)-2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline
CID 25196390
[6-[2-(2-methylpiperidin-1-yl)ethyl]-3-propanoyloxynaphthalen-2-yl] propanoate;hydrochloride
CID 70551238
2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-6-pyridin-4-ylquinoline
CID 10064429

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline?
The IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline (CID 25156750) is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline.
What is the SMILES notation for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline?
The canonical SMILES for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline is Cc1n[nH]c(C)c1-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1.
What is the InChIKey of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline?
The InChIKey is VRYZIAQDGOAPGT-CQSZACIVSA-N. The full InChI is InChI=1S/C21H26N4/c1-14-5-4-11-25(14)12-10-17-6-8-19-18(13-17)7-9-20(22-19)21-15(2)23-24-16(21)3/h6-9,13-14H,4-5,10-12H2,1-3H3,(H,23,24)/t14-/m1/s1.
What are the key properties of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline?
2-(3,5-dimethyl-1H-pyrazol-4-yl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline has a molecular weight of 334.47 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline is sourced from PubChem (CID 25156750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).