6-methyl-3-[[methyl-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-1H-quinolin-2-one

C20H19N5O2 — CID 56757986

IUPAC6-methyl-3-[[methyl-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-1H-quinolin-2-one
SMILESCc1ccc2[nH]c(=O)c(CN(C)Cc3nc(-c4ccncc4)no3)cc2c1
InChIInChI=1S/C20H19N5O2/c1-13-3-4-17-15(9-13)10-16(20(26)22-17)11-25(2)12-18-23-19(24-27-18)14-5-7-21-8-6-14/h3-10H,11-12H2,1-2H3,(H,22,26)
InChIKeySQVZAGLRUSYGAO-UHFFFAOYSA-N
MW361.41 g/mol
LogP2.91
Rot. Bonds5

About 6-methyl-3-[[methyl-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-1H-quinolin-2-one

6-methyl-3-[[methyl-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-1H-quinolin-2-one (PubChem CID 56757986) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is 6-methyl-3-[[methyl-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-methyl-3-[[methyl-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-1H-quinolin-2-one
PubChem CID56757986
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Name6-methyl-3-[[methyl-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-1H-quinolin-2-one
SMILESCc1ccc2[nH]c(=O)c(CN(C)Cc3nc(-c4ccncc4)no3)cc2c1
InChIInChI=1S/C20H19N5O2/c1-13-3-4-17-15(9-13)10-16(20(26)22-17)11-25(2)12-18-23-19(24-27-18)14-5-7-21-8-6-14/h3-10H,11-12H2,1-2H3,(H,22,26)
InChIKeySQVZAGLRUSYGAO-UHFFFAOYSA-N
XLogP2.91
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-methyl-3-[[methyl-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-1H-quinolin-2-one with MolForge

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Related Compounds

6-methyl-3-[[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]-1H-quinolin-2-one
CID 56719204
6-methyl-3-[[methyl-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]amino]methyl]-1H-quinolin-2-one
CID 56714804
1-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 91835903
3-[[1H-benzimidazol-2-ylmethyl(methyl)amino]methyl]-6-methyl-1H-quinolin-2-one
CID 56703370
N,5-dimethyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1-benzofuran-2-carboxamide
CID 50958227
N-(2,4-dimethylphenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]pyridine-4-carboxamide
CID 1422070
5-[(4-methylphenyl)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 895193
4-[3-(6-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-pyridin-4-ylbutanamide
CID 135896861
1-(2-chlorophenyl)-N-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
CID 26515684
1-(2,1,3-benzothiadiazol-5-yl)-N-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 70751638
N-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1-pyrrolidin-3-ylmethanamine;dihydrochloride
CID 154895780
7-methyl-4-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1,4-benzoxazin-3-one
CID 53101071

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[[methyl-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-1H-quinolin-2-one?
The IUPAC name of 6-methyl-3-[[methyl-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-1H-quinolin-2-one (CID 56757986) is 6-methyl-3-[[methyl-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 6-methyl-3-[[methyl-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-1H-quinolin-2-one?
The canonical SMILES for 6-methyl-3-[[methyl-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-1H-quinolin-2-one is Cc1ccc2[nH]c(=O)c(CN(C)Cc3nc(-c4ccncc4)no3)cc2c1.
What is the InChIKey of 6-methyl-3-[[methyl-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-1H-quinolin-2-one?
The InChIKey is SQVZAGLRUSYGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-13-3-4-17-15(9-13)10-16(20(26)22-17)11-25(2)12-18-23-19(24-27-18)14-5-7-21-8-6-14/h3-10H,11-12H2,1-2H3,(H,22,26).
What are the key properties of 6-methyl-3-[[methyl-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-1H-quinolin-2-one?
6-methyl-3-[[methyl-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-1H-quinolin-2-one has a molecular weight of 361.41 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[[methyl-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 56757986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).