2-hydroxy-1-[3-methyl-4-(5-methylquinoline-8-carbonyl)-1,4-diazepan-1-yl]propan-1-one

C20H25N3O3 — CID 166368655

IUPAC2-hydroxy-1-[3-methyl-4-(5-methylquinoline-8-carbonyl)-1,4-diazepan-1-yl]propan-1-one
SMILESCc1ccc(C(=O)N2CCCN(C(=O)C(C)O)CC2C)c2ncccc12
InChIInChI=1S/C20H25N3O3/c1-13-7-8-17(18-16(13)6-4-9-21-18)20(26)23-11-5-10-22(12-14(23)2)19(25)15(3)24/h4,6-9,14-15,24H,5,10-12H2,1-3H3
InChIKeyFYQIICNHLIIESE-UHFFFAOYSA-N
MW355.44 g/mol
LogP1.99
Rot. Bonds2

About 2-hydroxy-1-[3-methyl-4-(5-methylquinoline-8-carbonyl)-1,4-diazepan-1-yl]propan-1-one

2-hydroxy-1-[3-methyl-4-(5-methylquinoline-8-carbonyl)-1,4-diazepan-1-yl]propan-1-one (PubChem CID 166368655) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 2-hydroxy-1-[3-methyl-4-(5-methylquinoline-8-carbonyl)-1,4-diazepan-1-yl]propan-1-one.

Molecular Properties

Compound Name2-hydroxy-1-[3-methyl-4-(5-methylquinoline-8-carbonyl)-1,4-diazepan-1-yl]propan-1-one
PubChem CID166368655
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name2-hydroxy-1-[3-methyl-4-(5-methylquinoline-8-carbonyl)-1,4-diazepan-1-yl]propan-1-one
SMILESCc1ccc(C(=O)N2CCCN(C(=O)C(C)O)CC2C)c2ncccc12
InChIInChI=1S/C20H25N3O3/c1-13-7-8-17(18-16(13)6-4-9-21-18)20(26)23-11-5-10-22(12-14(23)2)19(25)15(3)24/h4,6-9,14-15,24H,5,10-12H2,1-3H3
InChIKeyFYQIICNHLIIESE-UHFFFAOYSA-N
XLogP1.99
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-hydroxy-1-[3-methyl-4-(5-methylquinoline-8-carbonyl)-1,4-diazepan-1-yl]propan-1-one with MolForge

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Related Compounds

[3-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(5-methylquinolin-8-yl)methanone
CID 136565491
[4-(1-ethylimidazole-2-carbonyl)-2-methylpiperazin-1-yl]-(4-methylquinolin-8-yl)methanone
CID 167964218
[3-(5-amino-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(5-methylquinolin-8-yl)methanone
CID 136565552
azetidin-1-yl-(5-chloroquinolin-8-yl)methanone
CID 166196760
benzo[f]quinolin-5-yl-(2-methylpiperidin-1-yl)methanone
CID 71895825
7-(5-methylquinoline-8-carbonyl)-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 136564870
(5-chloroquinolin-8-yl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119491888
ethane;2-methyl-1-[3-methyl-4-(pyridine-3-carbonyl)piperazin-1-yl]propan-1-one
CID 163264781
(2-ethylpiperidin-1-yl)-(8-sulfanylquinolin-5-yl)methanone
CID 157384035
(2-bromo-3-pyridinyl)-(2-methylazepan-1-yl)methanone
CID 103755413
(2-fluoro-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone
CID 107362731
(2,4-dimethyl-1,4-diazepan-1-yl)-(4-fluoro-2-methylphenyl)methanone
CID 114086778

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-[3-methyl-4-(5-methylquinoline-8-carbonyl)-1,4-diazepan-1-yl]propan-1-one?
The IUPAC name of 2-hydroxy-1-[3-methyl-4-(5-methylquinoline-8-carbonyl)-1,4-diazepan-1-yl]propan-1-one (CID 166368655) is 2-hydroxy-1-[3-methyl-4-(5-methylquinoline-8-carbonyl)-1,4-diazepan-1-yl]propan-1-one.
What is the SMILES notation for 2-hydroxy-1-[3-methyl-4-(5-methylquinoline-8-carbonyl)-1,4-diazepan-1-yl]propan-1-one?
The canonical SMILES for 2-hydroxy-1-[3-methyl-4-(5-methylquinoline-8-carbonyl)-1,4-diazepan-1-yl]propan-1-one is Cc1ccc(C(=O)N2CCCN(C(=O)C(C)O)CC2C)c2ncccc12.
What is the InChIKey of 2-hydroxy-1-[3-methyl-4-(5-methylquinoline-8-carbonyl)-1,4-diazepan-1-yl]propan-1-one?
The InChIKey is FYQIICNHLIIESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-13-7-8-17(18-16(13)6-4-9-21-18)20(26)23-11-5-10-22(12-14(23)2)19(25)15(3)24/h4,6-9,14-15,24H,5,10-12H2,1-3H3.
What are the key properties of 2-hydroxy-1-[3-methyl-4-(5-methylquinoline-8-carbonyl)-1,4-diazepan-1-yl]propan-1-one?
2-hydroxy-1-[3-methyl-4-(5-methylquinoline-8-carbonyl)-1,4-diazepan-1-yl]propan-1-one has a molecular weight of 355.44 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-[3-methyl-4-(5-methylquinoline-8-carbonyl)-1,4-diazepan-1-yl]propan-1-one is sourced from PubChem (CID 166368655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).