ethyl 4-[(8-methylquinolin-4-yl)amino]pentanoate

C17H22N2O2 — CID 133407061

IUPACethyl 4-[(8-methylquinolin-4-yl)amino]pentanoate
SMILESCCOC(=O)CCC(C)Nc1ccnc2c(C)cccc12
InChIInChI=1S/C17H22N2O2/c1-4-21-16(20)9-8-13(3)19-15-10-11-18-17-12(2)6-5-7-14(15)17/h5-7,10-11,13H,4,8-9H2,1-3H3,(H,18,19)
InChIKeySUJQNEUKJMPJRW-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.69
Rot. Bonds6

About ethyl 4-[(8-methylquinolin-4-yl)amino]pentanoate

ethyl 4-[(8-methylquinolin-4-yl)amino]pentanoate (PubChem CID 133407061) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is ethyl 4-[(8-methylquinolin-4-yl)amino]pentanoate.

Molecular Properties

Compound Nameethyl 4-[(8-methylquinolin-4-yl)amino]pentanoate
PubChem CID133407061
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Nameethyl 4-[(8-methylquinolin-4-yl)amino]pentanoate
SMILESCCOC(=O)CCC(C)Nc1ccnc2c(C)cccc12
InChIInChI=1S/C17H22N2O2/c1-4-21-16(20)9-8-13(3)19-15-10-11-18-17-12(2)6-5-7-14(15)17/h5-7,10-11,13H,4,8-9H2,1-3H3,(H,18,19)
InChIKeySUJQNEUKJMPJRW-UHFFFAOYSA-N
XLogP3.69
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[(7-fluoroquinolin-4-yl)amino]pentanoate
CID 133407100
4-N-heptan-2-ylquinoline-4,8-diamine
CID 83060293
2,3-dimethyl-1-[(8-methylquinolin-4-yl)amino]pentan-2-ol
CID 133388865
ethyl 4-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)pentanoate
CID 133406905
ethyl 3-(2,6-dimethylphenoxy)propanoate
CID 43173798
3-[(1S)-1-[(8-methylquinolin-4-yl)amino]ethyl]benzenesulfonamide
CID 97072580
4-[(8-nitroquinolin-4-yl)amino]pentan-1-ol
CID 83060786
3-(ethylamino)-N-(8-methylquinolin-5-yl)butanamide
CID 62837223
ethyl 3-[methyl-(8-methylquinazolin-4-yl)amino]butanoate
CID 133465027
3-N-quinolin-4-ylbutane-1,3-diamine
CID 83179618
2-[4-[(8-aminoquinolin-4-yl)amino]pentyl-ethylamino]ethanol
CID 20650144
3-(quinolin-4-ylamino)butanamide
CID 115685011

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(8-methylquinolin-4-yl)amino]pentanoate?
The IUPAC name of ethyl 4-[(8-methylquinolin-4-yl)amino]pentanoate (CID 133407061) is ethyl 4-[(8-methylquinolin-4-yl)amino]pentanoate.
What is the SMILES notation for ethyl 4-[(8-methylquinolin-4-yl)amino]pentanoate?
The canonical SMILES for ethyl 4-[(8-methylquinolin-4-yl)amino]pentanoate is CCOC(=O)CCC(C)Nc1ccnc2c(C)cccc12.
What is the InChIKey of ethyl 4-[(8-methylquinolin-4-yl)amino]pentanoate?
The InChIKey is SUJQNEUKJMPJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-4-21-16(20)9-8-13(3)19-15-10-11-18-17-12(2)6-5-7-14(15)17/h5-7,10-11,13H,4,8-9H2,1-3H3,(H,18,19).
What are the key properties of ethyl 4-[(8-methylquinolin-4-yl)amino]pentanoate?
ethyl 4-[(8-methylquinolin-4-yl)amino]pentanoate has a molecular weight of 286.38 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(8-methylquinolin-4-yl)amino]pentanoate is sourced from PubChem (CID 133407061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).