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

C22H22N4O3 — CID 50754527

IUPACN-[(2,3-dimethoxyphenyl)methyl]-6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine
SMILESCOc1cccc(CNc2nc3ccc(C)cc3cc2-c2noc(C)n2)c1OC
InChIInChI=1S/C22H22N4O3/c1-13-8-9-18-16(10-13)11-17(22-24-14(2)29-26-22)21(25-18)23-12-15-6-5-7-19(27-3)20(15)28-4/h5-11H,12H2,1-4H3,(H,23,25)
InChIKeyUAVPKFRRUMVQEB-UHFFFAOYSA-N
MW390.44 g/mol
LogP4.53
Rot. Bonds6

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

N-[(2,3-dimethoxyphenyl)methyl]-6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine (PubChem CID 50754527) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methyl]-6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)methyl]-6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine
PubChem CID50754527
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC NameN-[(2,3-dimethoxyphenyl)methyl]-6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine
SMILESCOc1cccc(CNc2nc3ccc(C)cc3cc2-c2noc(C)n2)c1OC
InChIInChI=1S/C22H22N4O3/c1-13-8-9-18-16(10-13)11-17(22-24-14(2)29-26-22)21(25-18)23-12-15-6-5-7-19(27-3)20(15)28-4/h5-11H,12H2,1-4H3,(H,23,25)
InChIKeyUAVPKFRRUMVQEB-UHFFFAOYSA-N
XLogP4.53
TPSA82.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine?
The IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine (CID 50754527) is N-[(2,3-dimethoxyphenyl)methyl]-6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)methyl]-6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)methyl]-6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine is COc1cccc(CNc2nc3ccc(C)cc3cc2-c2noc(C)n2)c1OC.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)methyl]-6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine?
The InChIKey is UAVPKFRRUMVQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-13-8-9-18-16(10-13)11-17(22-24-14(2)29-26-22)21(25-18)23-12-15-6-5-7-19(27-3)20(15)28-4/h5-11H,12H2,1-4H3,(H,23,25).
What are the key properties of N-[(2,3-dimethoxyphenyl)methyl]-6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine?
N-[(2,3-dimethoxyphenyl)methyl]-6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine has a molecular weight of 390.44 g/mol, XLogP of 4.53, 6 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-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine is sourced from PubChem (CID 50754527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).