8-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(3-methylphenyl)methyl]quinolin-2-amine

C21H20N4O — CID 50754639

IUPAC8-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(3-methylphenyl)methyl]quinolin-2-amine
SMILESCc1cccc(CNc2nc3c(C)cccc3cc2-c2noc(C)n2)c1
InChIInChI=1S/C21H20N4O/c1-13-6-4-8-16(10-13)12-22-20-18(21-23-15(3)26-25-21)11-17-9-5-7-14(2)19(17)24-20/h4-11H,12H2,1-3H3,(H,22,24)
InChIKeyNUMZYYDUGUZFHI-UHFFFAOYSA-N
MW344.42 g/mol
LogP4.82
Rot. Bonds4

About 8-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(3-methylphenyl)methyl]quinolin-2-amine

8-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(3-methylphenyl)methyl]quinolin-2-amine (PubChem CID 50754639) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is 8-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(3-methylphenyl)methyl]quinolin-2-amine.

Molecular Properties

Compound Name8-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(3-methylphenyl)methyl]quinolin-2-amine
PubChem CID50754639
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC Name8-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(3-methylphenyl)methyl]quinolin-2-amine
SMILESCc1cccc(CNc2nc3c(C)cccc3cc2-c2noc(C)n2)c1
InChIInChI=1S/C21H20N4O/c1-13-6-4-8-16(10-13)12-22-20-18(21-23-15(3)26-25-21)11-17-9-5-7-14(2)19(17)24-20/h4-11H,12H2,1-3H3,(H,22,24)
InChIKeyNUMZYYDUGUZFHI-UHFFFAOYSA-N
XLogP4.82
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(3-methylphenyl)methyl]quinolin-2-amine with MolForge

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Related Compounds

N-[(4-methoxyphenyl)methyl]-8-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine
CID 50754513
8-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(2-phenylethyl)quinolin-2-amine
CID 50748577
8-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(5-propyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine
CID 50754481
N-[(3,5-dimethoxyphenyl)methyl]-7-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine
CID 50754712
N-[(2,4-dimethoxyphenyl)methyl]-8-methyl-3-(5-propyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine
CID 50754567
N-[(2-chlorophenyl)methyl]-6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine
CID 50754551
8-methyl-3-(5-phenyl-1,2,4-oxadiazol-3-yl)-N-(2-pyridin-2-ylethyl)quinolin-2-amine
CID 50754502
N-[(2,3-dimethoxyphenyl)methyl]-6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine
CID 50754527
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-(3-methylphenyl)ethanamine
CID 114015020
N-[(3-methoxyphenyl)methyl]-6-methyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)quinolin-2-amine
CID 50754465
N-cyclopentyl-8-methyl-3-(5-propyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine
CID 50754610
3-[3-(2,2-dimethylpropyl)phenyl]-5-methyl-1,2,4-oxadiazole
CID 58044592

Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(3-methylphenyl)methyl]quinolin-2-amine?
The IUPAC name of 8-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(3-methylphenyl)methyl]quinolin-2-amine (CID 50754639) is 8-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(3-methylphenyl)methyl]quinolin-2-amine.
What is the SMILES notation for 8-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(3-methylphenyl)methyl]quinolin-2-amine?
The canonical SMILES for 8-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(3-methylphenyl)methyl]quinolin-2-amine is Cc1cccc(CNc2nc3c(C)cccc3cc2-c2noc(C)n2)c1.
What is the InChIKey of 8-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(3-methylphenyl)methyl]quinolin-2-amine?
The InChIKey is NUMZYYDUGUZFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O/c1-13-6-4-8-16(10-13)12-22-20-18(21-23-15(3)26-25-21)11-17-9-5-7-14(2)19(17)24-20/h4-11H,12H2,1-3H3,(H,22,24).
What are the key properties of 8-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(3-methylphenyl)methyl]quinolin-2-amine?
8-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(3-methylphenyl)methyl]quinolin-2-amine has a molecular weight of 344.42 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(3-methylphenyl)methyl]quinolin-2-amine is sourced from PubChem (CID 50754639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).