2-amino-N-[4-methoxy-3-[(2-methylquinolin-8-yl)oxymethyl]-2-propoxyphenyl]-N-methylacetamide

C24H29N3O4 — CID 22008965

IUPAC2-amino-N-[4-methoxy-3-[(2-methylquinolin-8-yl)oxymethyl]-2-propoxyphenyl]-N-methylacetamide
SMILESCCCOc1c(N(C)C(=O)CN)ccc(OC)c1COc1cccc2ccc(C)nc12
InChIInChI=1S/C24H29N3O4/c1-5-13-30-24-18(20(29-4)12-11-19(24)27(3)22(28)14-25)15-31-21-8-6-7-17-10-9-16(2)26-23(17)21/h6-12H,5,13-15,25H2,1-4H3
InChIKeyQYBAPRRWUCSFLG-UHFFFAOYSA-N
MW423.51 g/mol
LogP3.84
Rot. Bonds9

About 2-amino-N-[4-methoxy-3-[(2-methylquinolin-8-yl)oxymethyl]-2-propoxyphenyl]-N-methylacetamide

2-amino-N-[4-methoxy-3-[(2-methylquinolin-8-yl)oxymethyl]-2-propoxyphenyl]-N-methylacetamide (PubChem CID 22008965) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is 2-amino-N-[4-methoxy-3-[(2-methylquinolin-8-yl)oxymethyl]-2-propoxyphenyl]-N-methylacetamide.

Molecular Properties

Compound Name2-amino-N-[4-methoxy-3-[(2-methylquinolin-8-yl)oxymethyl]-2-propoxyphenyl]-N-methylacetamide
PubChem CID22008965
Molecular FormulaC24H29N3O4
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC Name2-amino-N-[4-methoxy-3-[(2-methylquinolin-8-yl)oxymethyl]-2-propoxyphenyl]-N-methylacetamide
SMILESCCCOc1c(N(C)C(=O)CN)ccc(OC)c1COc1cccc2ccc(C)nc12
InChIInChI=1S/C24H29N3O4/c1-5-13-30-24-18(20(29-4)12-11-19(24)27(3)22(28)14-25)15-31-21-8-6-7-17-10-9-16(2)26-23(17)21/h6-12H,5,13-15,25H2,1-4H3
InChIKeyQYBAPRRWUCSFLG-UHFFFAOYSA-N
XLogP3.84
TPSA86.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-methoxy-3-[(2-methylquinolin-8-yl)oxymethyl]-2-propoxyphenyl]-N-methylacetamide?
The IUPAC name of 2-amino-N-[4-methoxy-3-[(2-methylquinolin-8-yl)oxymethyl]-2-propoxyphenyl]-N-methylacetamide (CID 22008965) is 2-amino-N-[4-methoxy-3-[(2-methylquinolin-8-yl)oxymethyl]-2-propoxyphenyl]-N-methylacetamide.
What is the SMILES notation for 2-amino-N-[4-methoxy-3-[(2-methylquinolin-8-yl)oxymethyl]-2-propoxyphenyl]-N-methylacetamide?
The canonical SMILES for 2-amino-N-[4-methoxy-3-[(2-methylquinolin-8-yl)oxymethyl]-2-propoxyphenyl]-N-methylacetamide is CCCOc1c(N(C)C(=O)CN)ccc(OC)c1COc1cccc2ccc(C)nc12.
What is the InChIKey of 2-amino-N-[4-methoxy-3-[(2-methylquinolin-8-yl)oxymethyl]-2-propoxyphenyl]-N-methylacetamide?
The InChIKey is QYBAPRRWUCSFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4/c1-5-13-30-24-18(20(29-4)12-11-19(24)27(3)22(28)14-25)15-31-21-8-6-7-17-10-9-16(2)26-23(17)21/h6-12H,5,13-15,25H2,1-4H3.
What are the key properties of 2-amino-N-[4-methoxy-3-[(2-methylquinolin-8-yl)oxymethyl]-2-propoxyphenyl]-N-methylacetamide?
2-amino-N-[4-methoxy-3-[(2-methylquinolin-8-yl)oxymethyl]-2-propoxyphenyl]-N-methylacetamide has a molecular weight of 423.51 g/mol, XLogP of 3.84, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-methoxy-3-[(2-methylquinolin-8-yl)oxymethyl]-2-propoxyphenyl]-N-methylacetamide is sourced from PubChem (CID 22008965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).