N-[1-[2-[4-(cyclopropylmethoxy)-2-methylphenoxy]quinolin-6-yl]ethyl]propanamide

C25H28N2O3 — CID 70833755

IUPACN-[1-[2-[4-(cyclopropylmethoxy)-2-methylphenoxy]quinolin-6-yl]ethyl]propanamide
SMILESCCC(=O)NC(C)c1ccc2nc(Oc3ccc(OCC4CC4)cc3C)ccc2c1
InChIInChI=1S/C25H28N2O3/c1-4-24(28)26-17(3)19-7-10-22-20(14-19)8-12-25(27-22)30-23-11-9-21(13-16(23)2)29-15-18-5-6-18/h7-14,17-18H,4-6,15H2,1-3H3,(H,26,28)
InChIKeyQRNOIWFTBUIAME-UHFFFAOYSA-N
MW404.51 g/mol
LogP5.71
Rot. Bonds8

About N-[1-[2-[4-(cyclopropylmethoxy)-2-methylphenoxy]quinolin-6-yl]ethyl]propanamide

N-[1-[2-[4-(cyclopropylmethoxy)-2-methylphenoxy]quinolin-6-yl]ethyl]propanamide (PubChem CID 70833755) has the molecular formula C25H28N2O3 and a molecular weight of 404.51 g/mol. Its IUPAC name is N-[1-[2-[4-(cyclopropylmethoxy)-2-methylphenoxy]quinolin-6-yl]ethyl]propanamide.

Molecular Properties

Compound NameN-[1-[2-[4-(cyclopropylmethoxy)-2-methylphenoxy]quinolin-6-yl]ethyl]propanamide
PubChem CID70833755
Molecular FormulaC25H28N2O3
Molecular Weight404.51 g/mol
Exact Mass404.21
IUPAC NameN-[1-[2-[4-(cyclopropylmethoxy)-2-methylphenoxy]quinolin-6-yl]ethyl]propanamide
SMILESCCC(=O)NC(C)c1ccc2nc(Oc3ccc(OCC4CC4)cc3C)ccc2c1
InChIInChI=1S/C25H28N2O3/c1-4-24(28)26-17(3)19-7-10-22-20(14-19)8-12-25(27-22)30-23-11-9-21(13-16(23)2)29-15-18-5-6-18/h7-14,17-18H,4-6,15H2,1-3H3,(H,26,28)
InChIKeyQRNOIWFTBUIAME-UHFFFAOYSA-N
XLogP5.71
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.51
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-[2-[4-(cyclopropylmethoxy)-2-methylphenoxy]quinolin-6-yl]ethyl]propanamide with MolForge

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Related Compounds

methyl N-[1-[2-[4-(cyclopropylmethoxy)-2-methylphenoxy]quinolin-6-yl]ethyl]carbamate
CID 70834063
N-[1-[2-[2-bromo-4-(cyclohexylmethoxy)phenoxy]quinolin-6-yl]ethyl]acetamide
CID 68759815
N-[1-[2-(3-methyl-4-pyridin-2-yloxyphenoxy)quinolin-6-yl]ethyl]acetamide
CID 68758504
N-[1-[2-(4-ethylsulfanyl-2-methylphenoxy)quinolin-6-yl]ethyl]acetamide
CID 68762911
N-[1-[2-(2-bromo-4-ethoxyphenoxy)quinolin-6-yl]ethyl]acetamide
CID 68761187
1-[2-[2-chloro-4-(cyclopropylmethoxy)phenoxy]quinolin-6-yl]ethanone
CID 68759784
N-[1-[2-(3-bromo-4-ethoxyphenoxy)quinolin-6-yl]ethyl]acetamide
CID 68760152
1-[2-[3-chloro-4-(cyclopropylmethoxy)phenoxy]quinolin-6-yl]ethanamine
CID 91092196
2-[2-[4-(2-cyclopropylethoxy)-2-methylphenoxy]quinolin-6-yl]acetaldehyde
CID 87564012
1-[2-(4-cyclopentyloxy-2-methylphenoxy)quinolin-6-yl]ethanamine
CID 91362991
2-amino-N-[1-[2-(4-propan-2-yloxyphenoxy)quinolin-6-yl]ethyl]acetamide;hydrochloride
CID 68761041
N-[1-[2-[3-bromo-4-(2-methylpropoxy)phenoxy]quinolin-6-yl]ethyl]acetamide
CID 70833796

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[4-(cyclopropylmethoxy)-2-methylphenoxy]quinolin-6-yl]ethyl]propanamide?
The IUPAC name of N-[1-[2-[4-(cyclopropylmethoxy)-2-methylphenoxy]quinolin-6-yl]ethyl]propanamide (CID 70833755) is N-[1-[2-[4-(cyclopropylmethoxy)-2-methylphenoxy]quinolin-6-yl]ethyl]propanamide.
What is the SMILES notation for N-[1-[2-[4-(cyclopropylmethoxy)-2-methylphenoxy]quinolin-6-yl]ethyl]propanamide?
The canonical SMILES for N-[1-[2-[4-(cyclopropylmethoxy)-2-methylphenoxy]quinolin-6-yl]ethyl]propanamide is CCC(=O)NC(C)c1ccc2nc(Oc3ccc(OCC4CC4)cc3C)ccc2c1.
What is the InChIKey of N-[1-[2-[4-(cyclopropylmethoxy)-2-methylphenoxy]quinolin-6-yl]ethyl]propanamide?
The InChIKey is QRNOIWFTBUIAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3/c1-4-24(28)26-17(3)19-7-10-22-20(14-19)8-12-25(27-22)30-23-11-9-21(13-16(23)2)29-15-18-5-6-18/h7-14,17-18H,4-6,15H2,1-3H3,(H,26,28).
What are the key properties of N-[1-[2-[4-(cyclopropylmethoxy)-2-methylphenoxy]quinolin-6-yl]ethyl]propanamide?
N-[1-[2-[4-(cyclopropylmethoxy)-2-methylphenoxy]quinolin-6-yl]ethyl]propanamide has a molecular weight of 404.51 g/mol, XLogP of 5.71, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[4-(cyclopropylmethoxy)-2-methylphenoxy]quinolin-6-yl]ethyl]propanamide is sourced from PubChem (CID 70833755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).