6-methyl-3-(5-propyl-1,2,4-oxadiazol-3-yl)-N-(2-pyridin-2-ylethyl)quinolin-2-amine

C22H23N5O — CID 50754556

IUPAC6-methyl-3-(5-propyl-1,2,4-oxadiazol-3-yl)-N-(2-pyridin-2-ylethyl)quinolin-2-amine
SMILESCCCc1nc(-c2cc3cc(C)ccc3nc2NCCc2ccccn2)no1
InChIInChI=1S/C22H23N5O/c1-3-6-20-26-22(27-28-20)18-14-16-13-15(2)8-9-19(16)25-21(18)24-12-10-17-7-4-5-11-23-17/h4-5,7-9,11,13-14H,3,6,10,12H2,1-2H3,(H,24,25)
InChIKeyNDQJHMGQQRSKNW-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.60
Rot. Bonds7

About 6-methyl-3-(5-propyl-1,2,4-oxadiazol-3-yl)-N-(2-pyridin-2-ylethyl)quinolin-2-amine

6-methyl-3-(5-propyl-1,2,4-oxadiazol-3-yl)-N-(2-pyridin-2-ylethyl)quinolin-2-amine (PubChem CID 50754556) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is 6-methyl-3-(5-propyl-1,2,4-oxadiazol-3-yl)-N-(2-pyridin-2-ylethyl)quinolin-2-amine.

Molecular Properties

Compound Name6-methyl-3-(5-propyl-1,2,4-oxadiazol-3-yl)-N-(2-pyridin-2-ylethyl)quinolin-2-amine
PubChem CID50754556
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC Name6-methyl-3-(5-propyl-1,2,4-oxadiazol-3-yl)-N-(2-pyridin-2-ylethyl)quinolin-2-amine
SMILESCCCc1nc(-c2cc3cc(C)ccc3nc2NCCc2ccccn2)no1
InChIInChI=1S/C22H23N5O/c1-3-6-20-26-22(27-28-20)18-14-16-13-15(2)8-9-19(16)25-21(18)24-12-10-17-7-4-5-11-23-17/h4-5,7-9,11,13-14H,3,6,10,12H2,1-2H3,(H,24,25)
InChIKeyNDQJHMGQQRSKNW-UHFFFAOYSA-N
XLogP4.60
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-methyl-3-(5-propyl-1,2,4-oxadiazol-3-yl)-N-(2-pyridin-2-ylethyl)quinolin-2-amine with MolForge

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Related Compounds

8-methyl-3-(5-phenyl-1,2,4-oxadiazol-3-yl)-N-(2-pyridin-2-ylethyl)quinolin-2-amine
CID 50754502
N-[(2-chlorophenyl)methyl]-6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine
CID 50754551
2,5-dimethyl-N-(2-pyridin-2-ylethyl)aniline
CID 60720537
3,5-dichloro-2-N-ethyl-6-N-(2-pyridin-2-ylethyl)pyridine-2,6-diamine
CID 102755416
8-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(5-propyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine
CID 50754481
3-chloro-N-(2-pyridin-2-ylethyl)quinoxalin-2-amine
CID 23770473
5-butyl-3-pyridin-2-yl-1,2,4-oxadiazole
CID 26772271
6-N-methyl-5-propyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine
CID 80766055
6-N-ethyl-2-propyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine
CID 80938770
N-[(2,3-dimethoxyphenyl)methyl]-6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine
CID 50754527
N-cyclopentyl-8-methyl-3-(5-propyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine
CID 50754610
N-[(2,3-dimethoxyphenyl)methyl]-6-methyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)quinolin-2-amine
CID 50754544

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(5-propyl-1,2,4-oxadiazol-3-yl)-N-(2-pyridin-2-ylethyl)quinolin-2-amine?
The IUPAC name of 6-methyl-3-(5-propyl-1,2,4-oxadiazol-3-yl)-N-(2-pyridin-2-ylethyl)quinolin-2-amine (CID 50754556) is 6-methyl-3-(5-propyl-1,2,4-oxadiazol-3-yl)-N-(2-pyridin-2-ylethyl)quinolin-2-amine.
What is the SMILES notation for 6-methyl-3-(5-propyl-1,2,4-oxadiazol-3-yl)-N-(2-pyridin-2-ylethyl)quinolin-2-amine?
The canonical SMILES for 6-methyl-3-(5-propyl-1,2,4-oxadiazol-3-yl)-N-(2-pyridin-2-ylethyl)quinolin-2-amine is CCCc1nc(-c2cc3cc(C)ccc3nc2NCCc2ccccn2)no1.
What is the InChIKey of 6-methyl-3-(5-propyl-1,2,4-oxadiazol-3-yl)-N-(2-pyridin-2-ylethyl)quinolin-2-amine?
The InChIKey is NDQJHMGQQRSKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c1-3-6-20-26-22(27-28-20)18-14-16-13-15(2)8-9-19(16)25-21(18)24-12-10-17-7-4-5-11-23-17/h4-5,7-9,11,13-14H,3,6,10,12H2,1-2H3,(H,24,25).
What are the key properties of 6-methyl-3-(5-propyl-1,2,4-oxadiazol-3-yl)-N-(2-pyridin-2-ylethyl)quinolin-2-amine?
6-methyl-3-(5-propyl-1,2,4-oxadiazol-3-yl)-N-(2-pyridin-2-ylethyl)quinolin-2-amine has a molecular weight of 373.46 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(5-propyl-1,2,4-oxadiazol-3-yl)-N-(2-pyridin-2-ylethyl)quinolin-2-amine is sourced from PubChem (CID 50754556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).