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

C27H35N3O5 — CID 163609241

IUPACN-[1-(4-amino-2-methyl-3-propan-2-ylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-(2-hydroxyethoxy)-5-methoxybenzamide
SMILESCOc1cc(OCCO)cc(C(=O)NC(C)(C)COc2cccc3nc(C)c(C(C)C)c(N)c23)c1
InChIInChI=1S/C27H35N3O5/c1-16(2)23-17(3)29-21-8-7-9-22(24(21)25(23)28)35-15-27(4,5)30-26(32)18-12-19(33-6)14-20(13-18)34-11-10-31/h7-9,12-14,16,31H,10-11,15H2,1-6H3,(H2,28,29)(H,30,32)
InChIKeyHELZTAHTUMLCOE-UHFFFAOYSA-N
MW481.59 g/mol
LogP4.22
Rot. Bonds10

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

N-[1-(4-amino-2-methyl-3-propan-2-ylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-(2-hydroxyethoxy)-5-methoxybenzamide (PubChem CID 163609241) has the molecular formula C27H35N3O5 and a molecular weight of 481.59 g/mol. Its IUPAC name is N-[1-(4-amino-2-methyl-3-propan-2-ylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-(2-hydroxyethoxy)-5-methoxybenzamide.

Molecular Properties

Compound NameN-[1-(4-amino-2-methyl-3-propan-2-ylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-(2-hydroxyethoxy)-5-methoxybenzamide
PubChem CID163609241
Molecular FormulaC27H35N3O5
Molecular Weight481.59 g/mol
Exact Mass481.26
IUPAC NameN-[1-(4-amino-2-methyl-3-propan-2-ylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-(2-hydroxyethoxy)-5-methoxybenzamide
SMILESCOc1cc(OCCO)cc(C(=O)NC(C)(C)COc2cccc3nc(C)c(C(C)C)c(N)c23)c1
InChIInChI=1S/C27H35N3O5/c1-16(2)23-17(3)29-21-8-7-9-22(24(21)25(23)28)35-15-27(4,5)30-26(32)18-12-19(33-6)14-20(13-18)34-11-10-31/h7-9,12-14,16,31H,10-11,15H2,1-6H3,(H2,28,29)(H,30,32)
InChIKeyHELZTAHTUMLCOE-UHFFFAOYSA-N
XLogP4.22
TPSA115.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.59
LogP ≤ 54.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-amino-5-[2-[[3-(2-hydroxyethoxy)-5-methoxybenzoyl]amino]-2-methylpropoxy]-2-methylquinoline-3-carboxylic acid
CID 54588614
4-amino-5-[2-[(3-ethoxy-5-methoxybenzoyl)amino]-2-methylpropoxy]-2-methylquinoline-3-carboxylic acid
CID 90070163
N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3,5-dimethoxybenzamide
CID 58460338
4-amino-5-[2-[(3-methoxybenzoyl)amino]-2-methylpropoxy]-2-methylquinoline-3-carboxylic acid
CID 54588746
N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-(2-hydroxyethoxy)-4-methoxybenzamide
CID 58460319
4-amino-5-(2-benzamido-2-methylpropoxy)-2-methylquinoline-3-carboxylic acid
CID 54588745
4-amino-2-methyl-5-[2-methyl-2-(pyridine-4-carbonylamino)propoxy]quinoline-3-carboxylic acid
CID 56833144
4-amino-2-methyl-5-[2-methyl-2-(2-methylpropanoylamino)propoxy]quinoline-3-carboxylic acid
CID 66745721
N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-(3-hydroxypropoxy)-4-methoxybenzamide;carbon dioxide
CID 159342253
4-amino-5-[4-[[4-(2-hydroxyethoxy)-3-methoxybenzoyl]amino]-4-methylpentyl]-2-methylquinoline-3-carboxylic acid
CID 139421954
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
4-amino-5-[2-(cyclopropanecarbonylamino)-2-methylpropoxy]-2-methylquinoline-3-carboxylic acid
CID 90070133

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-amino-2-methyl-3-propan-2-ylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-(2-hydroxyethoxy)-5-methoxybenzamide?
The IUPAC name of N-[1-(4-amino-2-methyl-3-propan-2-ylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-(2-hydroxyethoxy)-5-methoxybenzamide (CID 163609241) is N-[1-(4-amino-2-methyl-3-propan-2-ylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-(2-hydroxyethoxy)-5-methoxybenzamide.
What is the SMILES notation for N-[1-(4-amino-2-methyl-3-propan-2-ylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-(2-hydroxyethoxy)-5-methoxybenzamide?
The canonical SMILES for N-[1-(4-amino-2-methyl-3-propan-2-ylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-(2-hydroxyethoxy)-5-methoxybenzamide is COc1cc(OCCO)cc(C(=O)NC(C)(C)COc2cccc3nc(C)c(C(C)C)c(N)c23)c1.
What is the InChIKey of N-[1-(4-amino-2-methyl-3-propan-2-ylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-(2-hydroxyethoxy)-5-methoxybenzamide?
The InChIKey is HELZTAHTUMLCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O5/c1-16(2)23-17(3)29-21-8-7-9-22(24(21)25(23)28)35-15-27(4,5)30-26(32)18-12-19(33-6)14-20(13-18)34-11-10-31/h7-9,12-14,16,31H,10-11,15H2,1-6H3,(H2,28,29)(H,30,32).
What are the key properties of N-[1-(4-amino-2-methyl-3-propan-2-ylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-(2-hydroxyethoxy)-5-methoxybenzamide?
N-[1-(4-amino-2-methyl-3-propan-2-ylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-(2-hydroxyethoxy)-5-methoxybenzamide has a molecular weight of 481.59 g/mol, XLogP of 4.22, 10 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-methyl-3-propan-2-ylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-(2-hydroxyethoxy)-5-methoxybenzamide is sourced from PubChem (CID 163609241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).