[7,8-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-[(3S)-3-ethyl-4-methylpiperazin-1-yl]methanone

C23H29N5O — CID 95046294

IUPAC[7,8-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-[(3S)-3-ethyl-4-methylpiperazin-1-yl]methanone
SMILESCC[C@H]1CN(C(=O)c2cc(-c3cnn(C)c3)nc3c(C)c(C)ccc23)CCN1C
InChIInChI=1S/C23H29N5O/c1-6-18-14-28(10-9-26(18)4)23(29)20-11-21(17-12-24-27(5)13-17)25-22-16(3)15(2)7-8-19(20)22/h7-8,11-13,18H,6,9-10,14H2,1-5H3/t18-/m0/s1
InChIKeyLJJGYFRURFKACJ-SFHVURJKSA-N
MW391.52 g/mol
LogP3.42
Rot. Bonds3

About [7,8-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-[(3S)-3-ethyl-4-methylpiperazin-1-yl]methanone

[7,8-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-[(3S)-3-ethyl-4-methylpiperazin-1-yl]methanone (PubChem CID 95046294) has the molecular formula C23H29N5O and a molecular weight of 391.52 g/mol. Its IUPAC name is [7,8-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-[(3S)-3-ethyl-4-methylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name[7,8-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-[(3S)-3-ethyl-4-methylpiperazin-1-yl]methanone
PubChem CID95046294
Molecular FormulaC23H29N5O
Molecular Weight391.52 g/mol
Exact Mass391.24
IUPAC Name[7,8-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-[(3S)-3-ethyl-4-methylpiperazin-1-yl]methanone
SMILESCC[C@H]1CN(C(=O)c2cc(-c3cnn(C)c3)nc3c(C)c(C)ccc23)CCN1C
InChIInChI=1S/C23H29N5O/c1-6-18-14-28(10-9-26(18)4)23(29)20-11-21(17-12-24-27(5)13-17)25-22-16(3)15(2)7-8-19(20)22/h7-8,11-13,18H,6,9-10,14H2,1-5H3/t18-/m0/s1
InChIKeyLJJGYFRURFKACJ-SFHVURJKSA-N
XLogP3.42
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[7,8-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 46985716
[7,8-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-[(3R)-3-propylpyrrolidin-1-yl]methanone
CID 95047470
[2-(1-ethylpyrazol-4-yl)-7,8-dimethylquinolin-4-yl]-[(3R)-3-methylpiperidin-1-yl]methanone
CID 95046756
[2-(1-ethylpyrazol-4-yl)-7,8-dimethylquinolin-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 95046755
[7,8-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-[(2R)-2-methylpyrrolidin-1-yl]methanone
CID 95046708
N,7,8-trimethyl-2-(1-methylpyrazol-4-yl)-N-[(3S)-1-methylpyrrolidin-3-yl]quinoline-4-carboxamide
CID 95047395
N-(5-cyclopropyl-1-methylpyrazol-4-yl)-7,8-dimethyl-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 166392385
[2-(4-ethylphenyl)-7,8-dimethylquinolin-4-yl]-morpholin-4-ylmethanone
CID 3490109
[2-[2-(2-methoxyethyl)pyrimidin-5-yl]-7,8-dimethylquinolin-4-yl]-pyrrolidin-1-ylmethanone
CID 46990469
(2-amino-3-methylphenyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
CID 63602925
[8-methyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 46995479
[4-[(2-methylphenyl)methyl]piperazin-1-yl]-[2-(1-methylpyrazol-4-yl)quinolin-4-yl]methanone
CID 19518978

Frequently Asked Questions

What is the IUPAC name of [7,8-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-[(3S)-3-ethyl-4-methylpiperazin-1-yl]methanone?
The IUPAC name of [7,8-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-[(3S)-3-ethyl-4-methylpiperazin-1-yl]methanone (CID 95046294) is [7,8-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-[(3S)-3-ethyl-4-methylpiperazin-1-yl]methanone.
What is the SMILES notation for [7,8-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-[(3S)-3-ethyl-4-methylpiperazin-1-yl]methanone?
The canonical SMILES for [7,8-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-[(3S)-3-ethyl-4-methylpiperazin-1-yl]methanone is CC[C@H]1CN(C(=O)c2cc(-c3cnn(C)c3)nc3c(C)c(C)ccc23)CCN1C.
What is the InChIKey of [7,8-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-[(3S)-3-ethyl-4-methylpiperazin-1-yl]methanone?
The InChIKey is LJJGYFRURFKACJ-SFHVURJKSA-N. The full InChI is InChI=1S/C23H29N5O/c1-6-18-14-28(10-9-26(18)4)23(29)20-11-21(17-12-24-27(5)13-17)25-22-16(3)15(2)7-8-19(20)22/h7-8,11-13,18H,6,9-10,14H2,1-5H3/t18-/m0/s1.
What are the key properties of [7,8-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-[(3S)-3-ethyl-4-methylpiperazin-1-yl]methanone?
[7,8-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-[(3S)-3-ethyl-4-methylpiperazin-1-yl]methanone has a molecular weight of 391.52 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [7,8-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-[(3S)-3-ethyl-4-methylpiperazin-1-yl]methanone is sourced from PubChem (CID 95046294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).