N-[3-(cyclopropylmethoxymethyl)phenyl]-2-quinolin-8-ylacetamide

C22H22N2O2 — CID 48598885

IUPACN-[3-(cyclopropylmethoxymethyl)phenyl]-2-quinolin-8-ylacetamide
SMILESO=C(Cc1cccc2cccnc12)Nc1cccc(COCC2CC2)c1
InChIInChI=1S/C22H22N2O2/c25-21(13-19-6-2-5-18-7-3-11-23-22(18)19)24-20-8-1-4-17(12-20)15-26-14-16-9-10-16/h1-8,11-12,16H,9-10,13-15H2,(H,24,25)
InChIKeyLJUUSJLNZXLHIH-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.34
Rot. Bonds7

About N-[3-(cyclopropylmethoxymethyl)phenyl]-2-quinolin-8-ylacetamide

N-[3-(cyclopropylmethoxymethyl)phenyl]-2-quinolin-8-ylacetamide (PubChem CID 48598885) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is N-[3-(cyclopropylmethoxymethyl)phenyl]-2-quinolin-8-ylacetamide.

Molecular Properties

Compound NameN-[3-(cyclopropylmethoxymethyl)phenyl]-2-quinolin-8-ylacetamide
PubChem CID48598885
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC NameN-[3-(cyclopropylmethoxymethyl)phenyl]-2-quinolin-8-ylacetamide
SMILESO=C(Cc1cccc2cccnc12)Nc1cccc(COCC2CC2)c1
InChIInChI=1S/C22H22N2O2/c25-21(13-19-6-2-5-18-7-3-11-23-22(18)19)24-20-8-1-4-17(12-20)15-26-14-16-9-10-16/h1-8,11-12,16H,9-10,13-15H2,(H,24,25)
InChIKeyLJUUSJLNZXLHIH-UHFFFAOYSA-N
XLogP4.34
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[3-(cyclopropylmethoxymethyl)phenyl]pentanamide
CID 120561459
N-(3,5-dimethylphenyl)-2-quinolin-8-ylacetamide
CID 51307005
1-[3-(cyclopropylmethoxymethyl)phenyl]-3-[(6-methyl-2-pyridinyl)methyl]urea
CID 48644122
N-[3-(cyclopropylmethoxymethyl)phenyl]-3,4,5-trimethoxybenzamide
CID 48584262
N-[3-(cyclopropylmethoxymethyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119754032
1-[3-(cyclopropylmethoxymethyl)phenyl]-3-(1-hydroxypropan-2-yl)urea
CID 110907808
N-[3-(cyclopropylmethoxymethyl)phenyl]-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide
CID 48599015
1-[3-(cyclopropylmethoxymethyl)phenyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]urea
CID 126773940
4-(cyclopropanecarbonylamino)-N-[3-(cyclopropylmethoxymethyl)phenyl]benzamide
CID 48584588
N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-2-quinolin-8-ylacetamide
CID 55710766
1-[3-(cyclopropylmethoxymethyl)phenyl]-3-hexylurea
CID 60589978
N-[4-[3-(cyclopropylmethoxymethyl)anilino]-4-oxobutyl]thiophene-3-carboxamide
CID 48584653

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylmethoxymethyl)phenyl]-2-quinolin-8-ylacetamide?
The IUPAC name of N-[3-(cyclopropylmethoxymethyl)phenyl]-2-quinolin-8-ylacetamide (CID 48598885) is N-[3-(cyclopropylmethoxymethyl)phenyl]-2-quinolin-8-ylacetamide.
What is the SMILES notation for N-[3-(cyclopropylmethoxymethyl)phenyl]-2-quinolin-8-ylacetamide?
The canonical SMILES for N-[3-(cyclopropylmethoxymethyl)phenyl]-2-quinolin-8-ylacetamide is O=C(Cc1cccc2cccnc12)Nc1cccc(COCC2CC2)c1.
What is the InChIKey of N-[3-(cyclopropylmethoxymethyl)phenyl]-2-quinolin-8-ylacetamide?
The InChIKey is LJUUSJLNZXLHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c25-21(13-19-6-2-5-18-7-3-11-23-22(18)19)24-20-8-1-4-17(12-20)15-26-14-16-9-10-16/h1-8,11-12,16H,9-10,13-15H2,(H,24,25).
What are the key properties of N-[3-(cyclopropylmethoxymethyl)phenyl]-2-quinolin-8-ylacetamide?
N-[3-(cyclopropylmethoxymethyl)phenyl]-2-quinolin-8-ylacetamide has a molecular weight of 346.43 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylmethoxymethyl)phenyl]-2-quinolin-8-ylacetamide is sourced from PubChem (CID 48598885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).