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

C23H24N4O3 — CID 50754635

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-7-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine
SMILESCOc1ccc(CCNc2nc3cc(C)ccc3cc2-c2noc(C)n2)cc1OC
InChIInChI=1S/C23H24N4O3/c1-14-5-7-17-13-18(23-25-15(2)30-27-23)22(26-19(17)11-14)24-10-9-16-6-8-20(28-3)21(12-16)29-4/h5-8,11-13H,9-10H2,1-4H3,(H,24,26)
InChIKeyQMHUOQMSPNNWNW-UHFFFAOYSA-N
MW404.47 g/mol
LogP4.57
Rot. Bonds7

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

N-[2-(3,4-dimethoxyphenyl)ethyl]-7-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine (PubChem CID 50754635) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-7-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-7-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine
PubChem CID50754635
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-7-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine
SMILESCOc1ccc(CCNc2nc3cc(C)ccc3cc2-c2noc(C)n2)cc1OC
InChIInChI=1S/C23H24N4O3/c1-14-5-7-17-13-18(23-25-15(2)30-27-23)22(26-19(17)11-14)24-10-9-16-6-8-20(28-3)21(12-16)29-4/h5-8,11-13H,9-10H2,1-4H3,(H,24,26)
InChIKeyQMHUOQMSPNNWNW-UHFFFAOYSA-N
XLogP4.57
TPSA82.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(3,5-dimethoxyphenyl)methyl]-7-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine
CID 50754712
7-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(4-methylphenyl)quinolin-2-amine
CID 50754562
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-[3-[2-(3,4-dimethoxyphenyl)ethylamino]quinoxalin-2-yl]-4-methylbenzenesulfonamide
CID 2921932
3-bromo-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylpyridin-2-amine
CID 105366661
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-1,3-oxazole-4-carboxamide
CID 30464265
6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-[(4-methylphenyl)methyl]pyrimidine-4,5,6-triamine
CID 22541698
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 46342229
N-[2-(3,4-dimethoxyphenyl)ethyl]-4,6-dimethylpyrimidin-2-amine;hydrochloride
CID 2969423
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylpyrimidin-2-amine
CID 63208375
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylpyridin-2-amine
CID 62253339

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-7-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-7-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine (CID 50754635) is N-[2-(3,4-dimethoxyphenyl)ethyl]-7-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-7-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-7-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine is COc1ccc(CCNc2nc3cc(C)ccc3cc2-c2noc(C)n2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-7-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine?
The InChIKey is QMHUOQMSPNNWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-14-5-7-17-13-18(23-25-15(2)30-27-23)22(26-19(17)11-14)24-10-9-16-6-8-20(28-3)21(12-16)29-4/h5-8,11-13H,9-10H2,1-4H3,(H,24,26).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-7-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine?
N-[2-(3,4-dimethoxyphenyl)ethyl]-7-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine has a molecular weight of 404.47 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-7-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine is sourced from PubChem (CID 50754635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).