N-[(2,3-dimethoxyphenyl)methyl]-6-methyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)quinolin-2-amine

C24H26N4O3 — CID 50754544

IUPACN-[(2,3-dimethoxyphenyl)methyl]-6-methyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)quinolin-2-amine
SMILESCOc1cccc(CNc2nc3ccc(C)cc3cc2-c2noc(C(C)C)n2)c1OC
InChIInChI=1S/C24H26N4O3/c1-14(2)24-27-23(28-31-24)18-12-17-11-15(3)9-10-19(17)26-22(18)25-13-16-7-6-8-20(29-4)21(16)30-5/h6-12,14H,13H2,1-5H3,(H,25,26)
InChIKeyQRODFTVWWAEAFA-UHFFFAOYSA-N
MW418.50 g/mol
LogP5.35
Rot. Bonds7

About N-[(2,3-dimethoxyphenyl)methyl]-6-methyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)quinolin-2-amine

N-[(2,3-dimethoxyphenyl)methyl]-6-methyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)quinolin-2-amine (PubChem CID 50754544) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methyl]-6-methyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)quinolin-2-amine.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)methyl]-6-methyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)quinolin-2-amine
PubChem CID50754544
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC NameN-[(2,3-dimethoxyphenyl)methyl]-6-methyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)quinolin-2-amine
SMILESCOc1cccc(CNc2nc3ccc(C)cc3cc2-c2noc(C(C)C)n2)c1OC
InChIInChI=1S/C24H26N4O3/c1-14(2)24-27-23(28-31-24)18-12-17-11-15(3)9-10-19(17)26-22(18)25-13-16-7-6-8-20(29-4)21(16)30-5/h6-12,14H,13H2,1-5H3,(H,25,26)
InChIKeyQRODFTVWWAEAFA-UHFFFAOYSA-N
XLogP5.35
TPSA82.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.50
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2,3-dimethoxyphenyl)methyl]-6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine
CID 50754527
N-[(3-methoxyphenyl)methyl]-6-methyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)quinolin-2-amine
CID 50754465
N-[(2-chlorophenyl)methyl]-6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine
CID 50754551
N-[(2,3-dimethoxyphenyl)methyl]-3-methylaniline
CID 784077
N-[(2,3-dimethoxyphenyl)methyl]-4-methylaniline
CID 4143681
2-bromo-N-[(2,3-dimethoxyphenyl)methyl]-5-methylaniline
CID 82761585
3-[3-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 106789680
N-[1-(4-methoxyphenyl)ethyl]-6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine
CID 50754617
6-methyl-3-(5-propyl-1,2,4-oxadiazol-3-yl)-N-(2-pyridin-2-ylethyl)quinolin-2-amine
CID 50754556
N-[(2,3-dimethoxyphenyl)methyl]-1,2-dimethylbenzimidazol-5-amine
CID 628339
N-[(3,5-dimethoxyphenyl)methyl]-7-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine
CID 50754712
2-[3-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-1-amine
CID 106789676

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-6-methyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)quinolin-2-amine?
The IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-6-methyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)quinolin-2-amine (CID 50754544) is N-[(2,3-dimethoxyphenyl)methyl]-6-methyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)quinolin-2-amine.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)methyl]-6-methyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)quinolin-2-amine?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)methyl]-6-methyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)quinolin-2-amine is COc1cccc(CNc2nc3ccc(C)cc3cc2-c2noc(C(C)C)n2)c1OC.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)methyl]-6-methyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)quinolin-2-amine?
The InChIKey is QRODFTVWWAEAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-14(2)24-27-23(28-31-24)18-12-17-11-15(3)9-10-19(17)26-22(18)25-13-16-7-6-8-20(29-4)21(16)30-5/h6-12,14H,13H2,1-5H3,(H,25,26).
What are the key properties of N-[(2,3-dimethoxyphenyl)methyl]-6-methyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)quinolin-2-amine?
N-[(2,3-dimethoxyphenyl)methyl]-6-methyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)quinolin-2-amine has a molecular weight of 418.50 g/mol, XLogP of 5.35, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethoxyphenyl)methyl]-6-methyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)quinolin-2-amine is sourced from PubChem (CID 50754544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).