[2-[2-(2-methoxyethyl)pyrimidin-5-yl]-7,8-dimethylquinolin-4-yl]-pyrrolidin-1-ylmethanone

C23H26N4O2 — CID 46990469

IUPAC[2-[2-(2-methoxyethyl)pyrimidin-5-yl]-7,8-dimethylquinolin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCOCCc1ncc(-c2cc(C(=O)N3CCCC3)c3ccc(C)c(C)c3n2)cn1
InChIInChI=1S/C23H26N4O2/c1-15-6-7-18-19(23(28)27-9-4-5-10-27)12-20(26-22(18)16(15)2)17-13-24-21(25-14-17)8-11-29-3/h6-7,12-14H,4-5,8-11H2,1-3H3
InChIKeyAXRZHOYAQDKGCN-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.73
Rot. Bonds5

About [2-[2-(2-methoxyethyl)pyrimidin-5-yl]-7,8-dimethylquinolin-4-yl]-pyrrolidin-1-ylmethanone

[2-[2-(2-methoxyethyl)pyrimidin-5-yl]-7,8-dimethylquinolin-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 46990469) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is [2-[2-(2-methoxyethyl)pyrimidin-5-yl]-7,8-dimethylquinolin-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-[2-(2-methoxyethyl)pyrimidin-5-yl]-7,8-dimethylquinolin-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID46990469
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name[2-[2-(2-methoxyethyl)pyrimidin-5-yl]-7,8-dimethylquinolin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCOCCc1ncc(-c2cc(C(=O)N3CCCC3)c3ccc(C)c(C)c3n2)cn1
InChIInChI=1S/C23H26N4O2/c1-15-6-7-18-19(23(28)27-9-4-5-10-27)12-20(26-22(18)16(15)2)17-13-24-21(25-14-17)8-11-29-3/h6-7,12-14H,4-5,8-11H2,1-3H3
InChIKeyAXRZHOYAQDKGCN-UHFFFAOYSA-N
XLogP3.73
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[7,8-dimethyl-2-[2-(1,2,4-triazol-1-ylmethyl)pyrimidin-5-yl]quinolin-4-yl]-pyrrolidin-1-ylmethanone
CID 46992667
[2-(4-ethylphenyl)-7,8-dimethylquinolin-4-yl]-morpholin-4-ylmethanone
CID 3490109
[7,8-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 46985716
[2-(2-cyclopropylpyrimidin-5-yl)-7,8-dimethylquinolin-4-yl]-[(2R)-2-methylpyrrolidin-1-yl]methanone
CID 95047271
[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-(2-propan-2-ylpyrimidin-5-yl)quinolin-4-yl]-(2-methylpyrrolidin-1-yl)methanone
CID 46992353
[7,8-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-[(3S)-3-ethyl-4-methylpiperazin-1-yl]methanone
CID 95046294
azocan-1-yl-[7-fluoro-2-(2-methylpyrimidin-5-yl)quinolin-4-yl]methanone
CID 46996613
[7,8-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-[(3R)-3-propylpyrrolidin-1-yl]methanone
CID 95047470
[7,8-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-[(2R)-2-methylpyrrolidin-1-yl]methanone
CID 95046708
N,7,8-trimethyl-2-(2-propan-2-ylpyrimidin-5-yl)-N-propylquinoline-4-carboxamide
CID 46989303

Frequently Asked Questions

What is the IUPAC name of [2-[2-(2-methoxyethyl)pyrimidin-5-yl]-7,8-dimethylquinolin-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-[2-(2-methoxyethyl)pyrimidin-5-yl]-7,8-dimethylquinolin-4-yl]-pyrrolidin-1-ylmethanone (CID 46990469) is [2-[2-(2-methoxyethyl)pyrimidin-5-yl]-7,8-dimethylquinolin-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-[2-(2-methoxyethyl)pyrimidin-5-yl]-7,8-dimethylquinolin-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-[2-(2-methoxyethyl)pyrimidin-5-yl]-7,8-dimethylquinolin-4-yl]-pyrrolidin-1-ylmethanone is COCCc1ncc(-c2cc(C(=O)N3CCCC3)c3ccc(C)c(C)c3n2)cn1.
What is the InChIKey of [2-[2-(2-methoxyethyl)pyrimidin-5-yl]-7,8-dimethylquinolin-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is AXRZHOYAQDKGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-15-6-7-18-19(23(28)27-9-4-5-10-27)12-20(26-22(18)16(15)2)17-13-24-21(25-14-17)8-11-29-3/h6-7,12-14H,4-5,8-11H2,1-3H3.
What are the key properties of [2-[2-(2-methoxyethyl)pyrimidin-5-yl]-7,8-dimethylquinolin-4-yl]-pyrrolidin-1-ylmethanone?
[2-[2-(2-methoxyethyl)pyrimidin-5-yl]-7,8-dimethylquinolin-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 390.49 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2-methoxyethyl)pyrimidin-5-yl]-7,8-dimethylquinolin-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 46990469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).