N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-(2-hydroxyethoxy)-4-methoxybenzamide

C24H29N3O5 — CID 58460319

IUPACN-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-(2-hydroxyethoxy)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(C)(C)COc2cccc3nc(C)cc(N)c23)cc1OCCO
InChIInChI=1S/C24H29N3O5/c1-15-12-17(25)22-18(26-15)6-5-7-20(22)32-14-24(2,3)27-23(29)16-8-9-19(30-4)21(13-16)31-11-10-28/h5-9,12-13,28H,10-11,14H2,1-4H3,(H2,25,26)(H,27,29)
InChIKeyGGUDWXOYIRKLBD-UHFFFAOYSA-N
MW439.51 g/mol
LogP3.09
Rot. Bonds9

About N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-(2-hydroxyethoxy)-4-methoxybenzamide

N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-(2-hydroxyethoxy)-4-methoxybenzamide (PubChem CID 58460319) has the molecular formula C24H29N3O5 and a molecular weight of 439.51 g/mol. Its IUPAC name is N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-(2-hydroxyethoxy)-4-methoxybenzamide.

Molecular Properties

Compound NameN-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-(2-hydroxyethoxy)-4-methoxybenzamide
PubChem CID58460319
Molecular FormulaC24H29N3O5
Molecular Weight439.51 g/mol
Exact Mass439.21
IUPAC NameN-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-(2-hydroxyethoxy)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(C)(C)COc2cccc3nc(C)cc(N)c23)cc1OCCO
InChIInChI=1S/C24H29N3O5/c1-15-12-17(25)22-18(26-15)6-5-7-20(22)32-14-24(2,3)27-23(29)16-8-9-19(30-4)21(13-16)31-11-10-28/h5-9,12-13,28H,10-11,14H2,1-4H3,(H2,25,26)(H,27,29)
InChIKeyGGUDWXOYIRKLBD-UHFFFAOYSA-N
XLogP3.09
TPSA115.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.51
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-(3-hydroxypropoxy)-4-methoxybenzamide;carbon dioxide
CID 159342253
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)oxy-2-methylpropan-2-yl]-3,5-dimethoxybenzamide
CID 58460338
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)oxy-2-methylpropan-2-yl]-4-fluoro-3-hydroxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-4-(2-hydroxyethoxy)-3-methoxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-methoxy-5-methylbenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-4-methoxy-3-propoxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2-(4-methylphenyl)acetamide;pentakis(carbon dioxide)
CID 158193310
N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2-ethylbutanamide
CID 58460379
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)oxy-2-methylpropan-2-yl]cyclohexanecarboxamide
CID 58460358
4-amino-5-[2-[[3-(2-hydroxyethoxy)-5-methoxybenzoyl]amino]-2-methylpropoxy]-2-methylquinoline-3-carboxylic acid
CID 54588614
N-[1-(4-amino-2-methyl-3-propan-2-ylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-(2-hydroxyethoxy)-5-methoxybenzamide
CID 163609241
4-amino-5-[4-[[4-(2-hydroxyethoxy)-3-methoxybenzoyl]amino]-4-methylpentyl]-2-methylquinoline-3-carboxylic acid
CID 139421954
4-amino-5-[2-[(3-methoxybenzoyl)amino]-2-methylpropoxy]-2-methylquinoline-3-carboxylic acid
CID 54588746

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-(2-hydroxyethoxy)-4-methoxybenzamide?
The IUPAC name of N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-(2-hydroxyethoxy)-4-methoxybenzamide (CID 58460319) is N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-(2-hydroxyethoxy)-4-methoxybenzamide.
What is the SMILES notation for N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-(2-hydroxyethoxy)-4-methoxybenzamide?
The canonical SMILES for N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-(2-hydroxyethoxy)-4-methoxybenzamide is COc1ccc(C(=O)NC(C)(C)COc2cccc3nc(C)cc(N)c23)cc1OCCO.
What is the InChIKey of N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-(2-hydroxyethoxy)-4-methoxybenzamide?
The InChIKey is GGUDWXOYIRKLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O5/c1-15-12-17(25)22-18(26-15)6-5-7-20(22)32-14-24(2,3)27-23(29)16-8-9-19(30-4)21(13-16)31-11-10-28/h5-9,12-13,28H,10-11,14H2,1-4H3,(H2,25,26)(H,27,29).
What are the key properties of N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-(2-hydroxyethoxy)-4-methoxybenzamide?
N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-(2-hydroxyethoxy)-4-methoxybenzamide has a molecular weight of 439.51 g/mol, XLogP of 3.09, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-(2-hydroxyethoxy)-4-methoxybenzamide is sourced from PubChem (CID 58460319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).