N-[(3,5-dimethoxyphenyl)methyl]-7-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine

C22H22N4O3 — CID 50754712

IUPACN-[(3,5-dimethoxyphenyl)methyl]-7-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine
SMILESCOc1cc(CNc2nc3cc(C)ccc3cc2-c2noc(C)n2)cc(OC)c1
InChIInChI=1S/C22H22N4O3/c1-13-5-6-16-10-19(22-24-14(2)29-26-22)21(25-20(16)7-13)23-12-15-8-17(27-3)11-18(9-15)28-4/h5-11H,12H2,1-4H3,(H,23,25)
InChIKeyKDKLNYYRISCIEJ-UHFFFAOYSA-N
MW390.44 g/mol
LogP4.53
Rot. Bonds6

About N-[(3,5-dimethoxyphenyl)methyl]-7-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine

N-[(3,5-dimethoxyphenyl)methyl]-7-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine (PubChem CID 50754712) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is N-[(3,5-dimethoxyphenyl)methyl]-7-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine.

Molecular Properties

Compound NameN-[(3,5-dimethoxyphenyl)methyl]-7-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine
PubChem CID50754712
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC NameN-[(3,5-dimethoxyphenyl)methyl]-7-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine
SMILESCOc1cc(CNc2nc3cc(C)ccc3cc2-c2noc(C)n2)cc(OC)c1
InChIInChI=1S/C22H22N4O3/c1-13-5-6-16-10-19(22-24-14(2)29-26-22)21(25-20(16)7-13)23-12-15-8-17(27-3)11-18(9-15)28-4/h5-11H,12H2,1-4H3,(H,23,25)
InChIKeyKDKLNYYRISCIEJ-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

Analyze N-[(3,5-dimethoxyphenyl)methyl]-7-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine with MolForge

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-7-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine
CID 50754635
7-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(4-methylphenyl)quinolin-2-amine
CID 50754562
N-[(4-methoxyphenyl)methyl]-8-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine
CID 50754513
N-[(3-methoxyphenyl)methyl]-6-methyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)quinolin-2-amine
CID 50754465
N-[(2,3-dimethoxyphenyl)methyl]-6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine
CID 50754527
7-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(1-phenylethyl)quinolin-2-amine
CID 50754510
N-[(2-chlorophenyl)methyl]-6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine
CID 50754551
N-[1-(4-methoxyphenyl)ethyl]-6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine
CID 50754617
8-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(3-methylphenyl)methyl]quinolin-2-amine
CID 50754639
6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(oxolan-2-ylmethyl)quinolin-2-amine
CID 50748624
3-(4-methoxy-2,6-dimethylphenyl)-5-methyl-1,2,4-oxadiazole
CID 13237457
3-(2-methoxy-7-methylquinolin-3-yl)-5-pyridin-2-yl-1,2,4-oxadiazole
CID 3842317

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]-7-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine?
The IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]-7-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine (CID 50754712) is N-[(3,5-dimethoxyphenyl)methyl]-7-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine.
What is the SMILES notation for N-[(3,5-dimethoxyphenyl)methyl]-7-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine?
The canonical SMILES for N-[(3,5-dimethoxyphenyl)methyl]-7-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine is COc1cc(CNc2nc3cc(C)ccc3cc2-c2noc(C)n2)cc(OC)c1.
What is the InChIKey of N-[(3,5-dimethoxyphenyl)methyl]-7-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine?
The InChIKey is KDKLNYYRISCIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-13-5-6-16-10-19(22-24-14(2)29-26-22)21(25-20(16)7-13)23-12-15-8-17(27-3)11-18(9-15)28-4/h5-11H,12H2,1-4H3,(H,23,25).
What are the key properties of N-[(3,5-dimethoxyphenyl)methyl]-7-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine?
N-[(3,5-dimethoxyphenyl)methyl]-7-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-[(3,5-dimethoxyphenyl)methyl]-7-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine is sourced from PubChem (CID 50754712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).