3-(4-amino-2-methylquinolin-5-yl)oxy-2,2-dimethyl-N-propan-2-ylpropanamide

C18H25N3O2 — CID 122414021

IUPAC3-(4-amino-2-methylquinolin-5-yl)oxy-2,2-dimethyl-N-propan-2-ylpropanamide
SMILESCc1cc(N)c2c(OCC(C)(C)C(=O)NC(C)C)cccc2n1
InChIInChI=1S/C18H25N3O2/c1-11(2)20-17(22)18(4,5)10-23-15-8-6-7-14-16(15)13(19)9-12(3)21-14/h6-9,11H,10H2,1-5H3,(H2,19,21)(H,20,22)
InChIKeyWVFIYYIFDTXPHK-UHFFFAOYSA-N
MW315.42 g/mol
LogP3.06
Rot. Bonds5

About 3-(4-amino-2-methylquinolin-5-yl)oxy-2,2-dimethyl-N-propan-2-ylpropanamide

3-(4-amino-2-methylquinolin-5-yl)oxy-2,2-dimethyl-N-propan-2-ylpropanamide (PubChem CID 122414021) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 3-(4-amino-2-methylquinolin-5-yl)oxy-2,2-dimethyl-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-(4-amino-2-methylquinolin-5-yl)oxy-2,2-dimethyl-N-propan-2-ylpropanamide
PubChem CID122414021
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name3-(4-amino-2-methylquinolin-5-yl)oxy-2,2-dimethyl-N-propan-2-ylpropanamide
SMILESCc1cc(N)c2c(OCC(C)(C)C(=O)NC(C)C)cccc2n1
InChIInChI=1S/C18H25N3O2/c1-11(2)20-17(22)18(4,5)10-23-15-8-6-7-14-16(15)13(19)9-12(3)21-14/h6-9,11H,10H2,1-5H3,(H2,19,21)(H,20,22)
InChIKeyWVFIYYIFDTXPHK-UHFFFAOYSA-N
XLogP3.06
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2-ethylbutanamide
CID 58460379
1-(4-amino-2-methylquinolin-5-yl)oxy-2,2-dimethyl-5-(3-methylphenyl)pentan-3-one
CID 157082515
4-(4-amino-2-methylquinolin-5-yl)oxy-3,3-dimethyl-1-(4-methylphenyl)butan-2-one;carbon dioxide
CID 123203295
N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]cyclohexanecarboxamide
CID 58460358
N-[1-(4-amino-2-methylquinolin-5-yl)oxypropan-2-yl]benzamide
CID 58460351
N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3,5-dimethoxybenzamide
CID 58460338
N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-methoxy-4-methylbenzamide;carbon dioxide
CID 123992201
N-[1-(4-amino-2-methylquinolin-5-yl)oxypropan-2-yl]-3-methylbenzamide;carbon dioxide
CID 123575535
5-(2-ethylbutoxy)-2-methylquinolin-4-amine
CID 58460399
N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-(2-hydroxyethoxy)-4-methoxybenzamide
CID 58460319
3-(3-amino-2-cyanophenoxy)-2,2-dimethyl-N-propan-2-ylpropanamide;3-hydroxy-2,2-dimethyl-N-propan-2-ylpropanamide
CID 158310989
N-[(2S)-1-(4-amino-2-methylquinolin-5-yl)oxybutan-2-yl]-3-hydroxybenzamide
CID 58460428

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-2-methylquinolin-5-yl)oxy-2,2-dimethyl-N-propan-2-ylpropanamide?
The IUPAC name of 3-(4-amino-2-methylquinolin-5-yl)oxy-2,2-dimethyl-N-propan-2-ylpropanamide (CID 122414021) is 3-(4-amino-2-methylquinolin-5-yl)oxy-2,2-dimethyl-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-(4-amino-2-methylquinolin-5-yl)oxy-2,2-dimethyl-N-propan-2-ylpropanamide?
The canonical SMILES for 3-(4-amino-2-methylquinolin-5-yl)oxy-2,2-dimethyl-N-propan-2-ylpropanamide is Cc1cc(N)c2c(OCC(C)(C)C(=O)NC(C)C)cccc2n1.
What is the InChIKey of 3-(4-amino-2-methylquinolin-5-yl)oxy-2,2-dimethyl-N-propan-2-ylpropanamide?
The InChIKey is WVFIYYIFDTXPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-11(2)20-17(22)18(4,5)10-23-15-8-6-7-14-16(15)13(19)9-12(3)21-14/h6-9,11H,10H2,1-5H3,(H2,19,21)(H,20,22).
What are the key properties of 3-(4-amino-2-methylquinolin-5-yl)oxy-2,2-dimethyl-N-propan-2-ylpropanamide?
3-(4-amino-2-methylquinolin-5-yl)oxy-2,2-dimethyl-N-propan-2-ylpropanamide has a molecular weight of 315.42 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-2-methylquinolin-5-yl)oxy-2,2-dimethyl-N-propan-2-ylpropanamide is sourced from PubChem (CID 122414021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).