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

C24H29N3O5 — CID 58460325

IUPACN-[(2S)-1-(4-amino-2-methylquinolin-5-yl)oxybutan-2-yl]-4-(2-hydroxyethoxy)-3-methoxybenzamide
SMILESCC[C@@H](COc1cccc2nc(C)cc(N)c12)NC(=O)c1ccc(OCCO)c(OC)c1
InChIInChI=1S/C24H29N3O5/c1-4-17(14-32-21-7-5-6-19-23(21)18(25)12-15(2)26-19)27-24(29)16-8-9-20(31-11-10-28)22(13-16)30-3/h5-9,12-13,17,28H,4,10-11,14H2,1-3H3,(H2,25,26)(H,27,29)/t17-/m0/s1
InChIKeyIFFFMDZVRRPCPM-KRWDZBQOSA-N
MW439.51 g/mol
LogP3.09
Rot. Bonds10

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

N-[(2S)-1-(4-amino-2-methylquinolin-5-yl)oxybutan-2-yl]-4-(2-hydroxyethoxy)-3-methoxybenzamide (PubChem CID 58460325) has the molecular formula C24H29N3O5 and a molecular weight of 439.51 g/mol. Its IUPAC name is N-[(2S)-1-(4-amino-2-methylquinolin-5-yl)oxybutan-2-yl]-4-(2-hydroxyethoxy)-3-methoxybenzamide.

Molecular Properties

Compound NameN-[(2S)-1-(4-amino-2-methylquinolin-5-yl)oxybutan-2-yl]-4-(2-hydroxyethoxy)-3-methoxybenzamide
PubChem CID58460325
Molecular FormulaC24H29N3O5
Molecular Weight439.51 g/mol
Exact Mass439.21
IUPAC NameN-[(2S)-1-(4-amino-2-methylquinolin-5-yl)oxybutan-2-yl]-4-(2-hydroxyethoxy)-3-methoxybenzamide
SMILESCC[C@@H](COc1cccc2nc(C)cc(N)c12)NC(=O)c1ccc(OCCO)c(OC)c1
InChIInChI=1S/C24H29N3O5/c1-4-17(14-32-21-7-5-6-19-23(21)18(25)12-15(2)26-19)27-24(29)16-8-9-20(31-11-10-28)22(13-16)30-3/h5-9,12-13,17,28H,4,10-11,14H2,1-3H3,(H2,25,26)(H,27,29)/t17-/m0/s1
InChIKeyIFFFMDZVRRPCPM-KRWDZBQOSA-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

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(4-amino-2-methylquinolin-5-yl)oxybutan-2-yl]-4-(2-hydroxyethoxy)-3-methoxybenzamide?
The IUPAC name of N-[(2S)-1-(4-amino-2-methylquinolin-5-yl)oxybutan-2-yl]-4-(2-hydroxyethoxy)-3-methoxybenzamide (CID 58460325) is N-[(2S)-1-(4-amino-2-methylquinolin-5-yl)oxybutan-2-yl]-4-(2-hydroxyethoxy)-3-methoxybenzamide.
What is the SMILES notation for N-[(2S)-1-(4-amino-2-methylquinolin-5-yl)oxybutan-2-yl]-4-(2-hydroxyethoxy)-3-methoxybenzamide?
The canonical SMILES for N-[(2S)-1-(4-amino-2-methylquinolin-5-yl)oxybutan-2-yl]-4-(2-hydroxyethoxy)-3-methoxybenzamide is CC[C@@H](COc1cccc2nc(C)cc(N)c12)NC(=O)c1ccc(OCCO)c(OC)c1.
What is the InChIKey of N-[(2S)-1-(4-amino-2-methylquinolin-5-yl)oxybutan-2-yl]-4-(2-hydroxyethoxy)-3-methoxybenzamide?
The InChIKey is IFFFMDZVRRPCPM-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H29N3O5/c1-4-17(14-32-21-7-5-6-19-23(21)18(25)12-15(2)26-19)27-24(29)16-8-9-20(31-11-10-28)22(13-16)30-3/h5-9,12-13,17,28H,4,10-11,14H2,1-3H3,(H2,25,26)(H,27,29)/t17-/m0/s1.
What are the key properties of N-[(2S)-1-(4-amino-2-methylquinolin-5-yl)oxybutan-2-yl]-4-(2-hydroxyethoxy)-3-methoxybenzamide?
N-[(2S)-1-(4-amino-2-methylquinolin-5-yl)oxybutan-2-yl]-4-(2-hydroxyethoxy)-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-[(2S)-1-(4-amino-2-methylquinolin-5-yl)oxybutan-2-yl]-4-(2-hydroxyethoxy)-3-methoxybenzamide is sourced from PubChem (CID 58460325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).