N-[1-(4-amino-2-methylquinolin-5-yl)oxypropan-2-yl]benzamide

C20H21N3O2 — CID 58460351

IUPACN-[1-(4-amino-2-methylquinolin-5-yl)oxypropan-2-yl]benzamide
SMILESCc1cc(N)c2c(OCC(C)NC(=O)c3ccccc3)cccc2n1
InChIInChI=1S/C20H21N3O2/c1-13-11-16(21)19-17(22-13)9-6-10-18(19)25-12-14(2)23-20(24)15-7-4-3-5-8-15/h3-11,14H,12H2,1-2H3,(H2,21,22)(H,23,24)
InChIKeyVOCLCYIXVMBUTI-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.32
Rot. Bonds5

About N-[1-(4-amino-2-methylquinolin-5-yl)oxypropan-2-yl]benzamide

N-[1-(4-amino-2-methylquinolin-5-yl)oxypropan-2-yl]benzamide (PubChem CID 58460351) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[1-(4-amino-2-methylquinolin-5-yl)oxypropan-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-(4-amino-2-methylquinolin-5-yl)oxypropan-2-yl]benzamide
PubChem CID58460351
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-[1-(4-amino-2-methylquinolin-5-yl)oxypropan-2-yl]benzamide
SMILESCc1cc(N)c2c(OCC(C)NC(=O)c3ccccc3)cccc2n1
InChIInChI=1S/C20H21N3O2/c1-13-11-16(21)19-17(22-13)9-6-10-18(19)25-12-14(2)23-20(24)15-7-4-3-5-8-15/h3-11,14H,12H2,1-2H3,(H2,21,22)(H,23,24)
InChIKeyVOCLCYIXVMBUTI-UHFFFAOYSA-N
XLogP3.32
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-amino-2-methylquinolin-5-yl)oxypropan-2-yl]-3-methylbenzamide;carbon dioxide
CID 123575535
N-[1-(4-amino-2-methylquinolin-5-yl)oxypropan-2-yl]-4-(2-hydroxyethoxy)-3-methoxybenzamide
CID 58460441
N-[1-(4-amino-2-methylquinolin-5-yl)oxypropan-2-yl]-3-butoxy-4-methoxybenzamide;carbon dioxide
CID 123835407
N-[(2S)-1-(4-amino-2-methylquinolin-5-yl)oxybutan-2-yl]-3-hydroxybenzamide
CID 58460428
4-amino-5-[2-[(3-hydroxybenzoyl)amino]propoxy]-2-methylquinoline-3-carboxylic acid
CID 54588550
3-(4-amino-2-methylquinolin-5-yl)oxy-2,2-dimethyl-N-propan-2-ylpropanamide
CID 122414021
N-[1-(4-amino-2-methylquinolin-5-yl)oxy-3-methylbutan-2-yl]-3,4-dihydro-2H-chromene-7-carboxamide
CID 174193589
N-[1-(4-amino-2-methylquinolin-5-yl)oxybutan-2-yl]-4-butoxy-3-methoxybenzamide;carbon dioxide
CID 123502778
N-[1-(4-amino-2-methylquinolin-5-yl)oxybutan-2-yl]-4-butyl-3-methoxybenzamide;carbon dioxide
CID 123812005
N-[1-(2,6-dimethylphenoxy)propan-2-yl]benzamide
CID 139460648
4-amino-5-[(2S)-2-[[3-(3-hydroxypropoxy)-4-methoxybenzoyl]amino]propoxy]-2-methylquinoline-3-carboxylic acid
CID 66746126
4-amino-5-[2-[[3-hydroxy-4-(3-hydroxypropoxy)benzoyl]amino]propoxy]-2-methylquinoline-3-carboxylic acid
CID 139421887

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-amino-2-methylquinolin-5-yl)oxypropan-2-yl]benzamide?
The IUPAC name of N-[1-(4-amino-2-methylquinolin-5-yl)oxypropan-2-yl]benzamide (CID 58460351) is N-[1-(4-amino-2-methylquinolin-5-yl)oxypropan-2-yl]benzamide.
What is the SMILES notation for N-[1-(4-amino-2-methylquinolin-5-yl)oxypropan-2-yl]benzamide?
The canonical SMILES for N-[1-(4-amino-2-methylquinolin-5-yl)oxypropan-2-yl]benzamide is Cc1cc(N)c2c(OCC(C)NC(=O)c3ccccc3)cccc2n1.
What is the InChIKey of N-[1-(4-amino-2-methylquinolin-5-yl)oxypropan-2-yl]benzamide?
The InChIKey is VOCLCYIXVMBUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-13-11-16(21)19-17(22-13)9-6-10-18(19)25-12-14(2)23-20(24)15-7-4-3-5-8-15/h3-11,14H,12H2,1-2H3,(H2,21,22)(H,23,24).
What are the key properties of N-[1-(4-amino-2-methylquinolin-5-yl)oxypropan-2-yl]benzamide?
N-[1-(4-amino-2-methylquinolin-5-yl)oxypropan-2-yl]benzamide has a molecular weight of 335.41 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-amino-2-methylquinolin-5-yl)oxypropan-2-yl]benzamide is sourced from PubChem (CID 58460351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).