N-[1-(4-amino-2-methylquinolin-5-yl)oxypropan-2-yl]-4-(3-hydroxypropoxy)-3-methoxybenzamide

C24H29N3O5 — CID 58460328

IUPACN-[1-(4-amino-2-methylquinolin-5-yl)oxypropan-2-yl]-4-(3-hydroxypropoxy)-3-methoxybenzamide
SMILESCOc1cc(C(=O)NC(C)COc2cccc3nc(C)cc(N)c23)ccc1OCCCO
InChIInChI=1S/C24H29N3O5/c1-15-12-18(25)23-19(26-15)6-4-7-21(23)32-14-16(2)27-24(29)17-8-9-20(22(13-17)30-3)31-11-5-10-28/h4,6-9,12-13,16,28H,5,10-11,14H2,1-3H3,(H2,25,26)(H,27,29)
InChIKeyOWGHQOLGFBXXKZ-UHFFFAOYSA-N
MW439.51 g/mol
LogP3.09
Rot. Bonds10

About N-[1-(4-amino-2-methylquinolin-5-yl)oxypropan-2-yl]-4-(3-hydroxypropoxy)-3-methoxybenzamide

N-[1-(4-amino-2-methylquinolin-5-yl)oxypropan-2-yl]-4-(3-hydroxypropoxy)-3-methoxybenzamide (PubChem CID 58460328) 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)oxypropan-2-yl]-4-(3-hydroxypropoxy)-3-methoxybenzamide.

Molecular Properties

Compound NameN-[1-(4-amino-2-methylquinolin-5-yl)oxypropan-2-yl]-4-(3-hydroxypropoxy)-3-methoxybenzamide
PubChem CID58460328
Molecular FormulaC24H29N3O5
Molecular Weight439.51 g/mol
Exact Mass439.21
IUPAC NameN-[1-(4-amino-2-methylquinolin-5-yl)oxypropan-2-yl]-4-(3-hydroxypropoxy)-3-methoxybenzamide
SMILESCOc1cc(C(=O)NC(C)COc2cccc3nc(C)cc(N)c23)ccc1OCCCO
InChIInChI=1S/C24H29N3O5/c1-15-12-18(25)23-19(26-15)6-4-7-21(23)32-14-16(2)27-24(29)17-8-9-20(22(13-17)30-3)31-11-5-10-28/h4,6-9,12-13,16,28H,5,10-11,14H2,1-3H3,(H2,25,26)(H,27,29)
InChIKeyOWGHQOLGFBXXKZ-UHFFFAOYSA-N
XLogP3.09
TPSA115.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-amino-2-methylquinolin-5-yl)oxypropan-2-yl]-4-(3-hydroxypropoxy)-3-methoxybenzamide?
The IUPAC name of N-[1-(4-amino-2-methylquinolin-5-yl)oxypropan-2-yl]-4-(3-hydroxypropoxy)-3-methoxybenzamide (CID 58460328) is N-[1-(4-amino-2-methylquinolin-5-yl)oxypropan-2-yl]-4-(3-hydroxypropoxy)-3-methoxybenzamide.
What is the SMILES notation for N-[1-(4-amino-2-methylquinolin-5-yl)oxypropan-2-yl]-4-(3-hydroxypropoxy)-3-methoxybenzamide?
The canonical SMILES for N-[1-(4-amino-2-methylquinolin-5-yl)oxypropan-2-yl]-4-(3-hydroxypropoxy)-3-methoxybenzamide is COc1cc(C(=O)NC(C)COc2cccc3nc(C)cc(N)c23)ccc1OCCCO.
What is the InChIKey of N-[1-(4-amino-2-methylquinolin-5-yl)oxypropan-2-yl]-4-(3-hydroxypropoxy)-3-methoxybenzamide?
The InChIKey is OWGHQOLGFBXXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O5/c1-15-12-18(25)23-19(26-15)6-4-7-21(23)32-14-16(2)27-24(29)17-8-9-20(22(13-17)30-3)31-11-5-10-28/h4,6-9,12-13,16,28H,5,10-11,14H2,1-3H3,(H2,25,26)(H,27,29).
What are the key properties of N-[1-(4-amino-2-methylquinolin-5-yl)oxypropan-2-yl]-4-(3-hydroxypropoxy)-3-methoxybenzamide?
N-[1-(4-amino-2-methylquinolin-5-yl)oxypropan-2-yl]-4-(3-hydroxypropoxy)-3-methoxybenzamide has a molecular weight of 439.51 g/mol, XLogP of 3.09, 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-methylquinolin-5-yl)oxypropan-2-yl]-4-(3-hydroxypropoxy)-3-methoxybenzamide is sourced from PubChem (CID 58460328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).