N-[1-(4-amino-2-methylquinolin-5-yl)oxypropan-2-yl]-3-methylbenzamide;carbon dioxide

C22H23N3O4 — CID 123575535

IUPACN-[1-(4-amino-2-methylquinolin-5-yl)oxypropan-2-yl]-3-methylbenzamide;carbon dioxide
SMILESCc1cccc(C(=O)NC(C)COc2cccc3nc(C)cc(N)c23)c1.O=C=O
InChIInChI=1S/C21H23N3O2.CO2/c1-13-6-4-7-16(10-13)21(25)24-15(3)12-26-19-9-5-8-18-20(19)17(22)11-14(2)23-18;2-1-3/h4-11,15H,12H2,1-3H3,(H2,22,23)(H,24,25);
InChIKeyHYPUMDBOEKJKHX-UHFFFAOYSA-N
MW393.44 g/mol
LogP3.05
Rot. Bonds5

About N-[1-(4-amino-2-methylquinolin-5-yl)oxypropan-2-yl]-3-methylbenzamide;carbon dioxide

N-[1-(4-amino-2-methylquinolin-5-yl)oxypropan-2-yl]-3-methylbenzamide;carbon dioxide (PubChem CID 123575535) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is N-[1-(4-amino-2-methylquinolin-5-yl)oxypropan-2-yl]-3-methylbenzamide;carbon dioxide.

Molecular Properties

Compound NameN-[1-(4-amino-2-methylquinolin-5-yl)oxypropan-2-yl]-3-methylbenzamide;carbon dioxide
PubChem CID123575535
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC NameN-[1-(4-amino-2-methylquinolin-5-yl)oxypropan-2-yl]-3-methylbenzamide;carbon dioxide
SMILESCc1cccc(C(=O)NC(C)COc2cccc3nc(C)cc(N)c23)c1.O=C=O
InChIInChI=1S/C21H23N3O2.CO2/c1-13-6-4-7-16(10-13)21(25)24-15(3)12-26-19-9-5-8-18-20(19)17(22)11-14(2)23-18;2-1-3/h4-11,15H,12H2,1-3H3,(H2,22,23)(H,24,25);
InChIKeyHYPUMDBOEKJKHX-UHFFFAOYSA-N
XLogP3.05
TPSA111.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(4-amino-2-methylquinolin-5-yl)oxypropan-2-yl]benzamide
CID 58460351
N-[1-(4-amino-2-methylquinolin-5-yl)oxypropan-2-yl]-3-butoxy-4-methoxybenzamide;carbon dioxide
CID 123835407
N-[1-(4-amino-2-methylquinolin-5-yl)oxypropan-2-yl]-4-(2-hydroxyethoxy)-3-methoxybenzamide
CID 58460441
N-[(2S)-1-(4-amino-2-methylquinolin-5-yl)oxybutan-2-yl]-3-hydroxybenzamide
CID 58460428
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-(4-amino-2-methylquinolin-5-yl)oxy-3-methylbutan-2-yl]-2-hydroxybenzamide;[2-[(4-amino-2-methylquinolin-5-yl)oxymethyl]pyrrolidin-1-yl]-cyclohexylmethanone;1-[2-[(4-amino-2-methylquinolin-5-yl)oxymethyl]pyrrolidin-1-yl]ethanone;1-[2-[(4-amino-2-methylquinolin-5-yl)oxymethyl]pyrrolidin-1-yl]-2-methylpropan-1-one;N-[1-(4-amino-2-methylquinolin-5-yl)oxypropan-2-yl]-3-methylbenzamide;pentakis(carbon dioxide)
CID 159608753
4-amino-5-[2-[(3-hydroxybenzoyl)amino]propoxy]-2-methylquinoline-3-carboxylic acid
CID 54588550
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)oxy-2-methylpropan-2-yl]-3-methoxy-4-methylbenzamide;carbon dioxide
CID 123992201
N-[1-(4-amino-2-methylquinolin-5-yl)oxybutan-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxybutan-2-yl]-3-hydroxy-5-methylbenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxybutan-2-yl]-3-methylbenzamide;bis(N-[1-(4-amino-2-methylquinolin-5-yl)oxy-3-methylbutan-2-yl]-4-butoxy-3-methoxybenzamide);N-[1-(4-amino-2-methylquinolin-5-yl)oxy-3-methylbutan-2-yl]-3-hydroxy-5-methylbenzamide;hexakis(carbon dioxide)
CID 160622282
N-[1-(4-amino-2-methylquinolin-5-yl)oxybutan-2-yl]-4-butoxy-3-methoxybenzamide;bis(N-[1-(4-amino-2-methylquinolin-5-yl)oxybutan-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide);bis(N-[1-(4-amino-2-methylquinolin-5-yl)oxybutan-2-yl]-3-hydroxy-5-methylbenzamide);N-[1-(4-amino-2-methylquinolin-5-yl)oxybutan-2-yl]-3-methylbenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-3-methylbutan-2-yl]-4-butoxy-3-methoxybenzamide;heptakis(carbon dioxide)
CID 161376613

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-amino-2-methylquinolin-5-yl)oxypropan-2-yl]-3-methylbenzamide;carbon dioxide?
The IUPAC name of N-[1-(4-amino-2-methylquinolin-5-yl)oxypropan-2-yl]-3-methylbenzamide;carbon dioxide (CID 123575535) is N-[1-(4-amino-2-methylquinolin-5-yl)oxypropan-2-yl]-3-methylbenzamide;carbon dioxide.
What is the SMILES notation for N-[1-(4-amino-2-methylquinolin-5-yl)oxypropan-2-yl]-3-methylbenzamide;carbon dioxide?
The canonical SMILES for N-[1-(4-amino-2-methylquinolin-5-yl)oxypropan-2-yl]-3-methylbenzamide;carbon dioxide is Cc1cccc(C(=O)NC(C)COc2cccc3nc(C)cc(N)c23)c1.O=C=O.
What is the InChIKey of N-[1-(4-amino-2-methylquinolin-5-yl)oxypropan-2-yl]-3-methylbenzamide;carbon dioxide?
The InChIKey is HYPUMDBOEKJKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2.CO2/c1-13-6-4-7-16(10-13)21(25)24-15(3)12-26-19-9-5-8-18-20(19)17(22)11-14(2)23-18;2-1-3/h4-11,15H,12H2,1-3H3,(H2,22,23)(H,24,25);.
What are the key properties of N-[1-(4-amino-2-methylquinolin-5-yl)oxypropan-2-yl]-3-methylbenzamide;carbon dioxide?
N-[1-(4-amino-2-methylquinolin-5-yl)oxypropan-2-yl]-3-methylbenzamide;carbon dioxide has a molecular weight of 393.44 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-amino-2-methylquinolin-5-yl)oxypropan-2-yl]-3-methylbenzamide;carbon dioxide is sourced from PubChem (CID 123575535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).