3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-(oxan-4-yl)propanamide

C24H27N3O2 — CID 118970599

IUPAC3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-(oxan-4-yl)propanamide
SMILESCc1ccccc1-c1ccc2nc(N)c(CCC(=O)NC3CCOCC3)cc2c1
InChIInChI=1S/C24H27N3O2/c1-16-4-2-3-5-21(16)17-6-8-22-19(14-17)15-18(24(25)27-22)7-9-23(28)26-20-10-12-29-13-11-20/h2-6,8,14-15,20H,7,9-13H2,1H3,(H2,25,27)(H,26,28)
InChIKeyHUXSVWMQRJLOFX-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.02
Rot. Bonds5

About 3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-(oxan-4-yl)propanamide

3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-(oxan-4-yl)propanamide (PubChem CID 118970599) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-(oxan-4-yl)propanamide.

Molecular Properties

Compound Name3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-(oxan-4-yl)propanamide
PubChem CID118970599
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-(oxan-4-yl)propanamide
SMILESCc1ccccc1-c1ccc2nc(N)c(CCC(=O)NC3CCOCC3)cc2c1
InChIInChI=1S/C24H27N3O2/c1-16-4-2-3-5-21(16)17-6-8-22-19(14-17)15-18(24(25)27-22)7-9-23(28)26-20-10-12-29-13-11-20/h2-6,8,14-15,20H,7,9-13H2,1H3,(H2,25,27)(H,26,28)
InChIKeyHUXSVWMQRJLOFX-UHFFFAOYSA-N
XLogP4.02
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-(2,2-dimethyloxan-4-yl)-2-methylpropanamide
CID 53238470
(2R)-3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-[(2R,6R)-2,6-dimethyloxan-4-yl]-2-methylpropanamide
CID 140603235
N-cyclopropyl-3-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334118
N-cyclopropyl-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331054
2-(4-methylphenyl)-N-(oxan-4-yl)acetamide
CID 110726863
3-(2-methylphenyl)-N-(4-oxocyclohexyl)propanamide
CID 62365696
N-cyclohexyl-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331062
3-amino-N-(oxan-4-yl)propanamide
CID 43610037
N-cyclopropyl-3-(1-methyl-3-phenylpyrazol-4-yl)propanamide
CID 53033035
N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-3-(2-methylphenyl)propanamide
CID 163863609
N-(4-aminocyclohexyl)-3-(2,4-dimethylphenyl)propanamide;hydrochloride
CID 119475057
[2-(oxan-4-ylamino)-2-oxoethyl] 2-amino-3-methylbenzoate
CID 63099058

Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-(oxan-4-yl)propanamide?
The IUPAC name of 3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-(oxan-4-yl)propanamide (CID 118970599) is 3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-(oxan-4-yl)propanamide.
What is the SMILES notation for 3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-(oxan-4-yl)propanamide?
The canonical SMILES for 3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-(oxan-4-yl)propanamide is Cc1ccccc1-c1ccc2nc(N)c(CCC(=O)NC3CCOCC3)cc2c1.
What is the InChIKey of 3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-(oxan-4-yl)propanamide?
The InChIKey is HUXSVWMQRJLOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-16-4-2-3-5-21(16)17-6-8-22-19(14-17)15-18(24(25)27-22)7-9-23(28)26-20-10-12-29-13-11-20/h2-6,8,14-15,20H,7,9-13H2,1H3,(H2,25,27)(H,26,28).
What are the key properties of 3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-(oxan-4-yl)propanamide?
3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-(oxan-4-yl)propanamide has a molecular weight of 389.50 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-(oxan-4-yl)propanamide is sourced from PubChem (CID 118970599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).