methyl 4-(quinolin-6-ylamino)butanoate

C14H16N2O2 — CID 82539291

IUPACmethyl 4-(quinolin-6-ylamino)butanoate
SMILESCOC(=O)CCCNc1ccc2ncccc2c1
InChIInChI=1S/C14H16N2O2/c1-18-14(17)5-3-8-15-12-6-7-13-11(10-12)4-2-9-16-13/h2,4,6-7,9-10,15H,3,5,8H2,1H3
InChIKeyNHXYAXIZMWOIIY-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.60
Rot. Bonds5

About methyl 4-(quinolin-6-ylamino)butanoate

methyl 4-(quinolin-6-ylamino)butanoate (PubChem CID 82539291) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is methyl 4-(quinolin-6-ylamino)butanoate.

Molecular Properties

Compound Namemethyl 4-(quinolin-6-ylamino)butanoate
PubChem CID82539291
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Namemethyl 4-(quinolin-6-ylamino)butanoate
SMILESCOC(=O)CCCNc1ccc2ncccc2c1
InChIInChI=1S/C14H16N2O2/c1-18-14(17)5-3-8-15-12-6-7-13-11(10-12)4-2-9-16-13/h2,4,6-7,9-10,15H,3,5,8H2,1H3
InChIKeyNHXYAXIZMWOIIY-UHFFFAOYSA-N
XLogP2.60
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 4-quinolin-6-ylbutanoate
CID 116997352
N-(4-methylsulfanylbutyl)quinolin-6-amine
CID 103087988
methyl 4-(1,3-benzothiazol-6-ylamino)butanoate
CID 107804839
N-(3,3-dimethylbutyl)quinolin-6-amine
CID 62950963
methyl 4-(3,4-difluoroanilino)butanoate
CID 43377896
6-amino-4,4-dimethyl-N-quinolin-6-ylhexanamide
CID 65291463
N,N'-di(quinolin-6-yl)propanediamide
CID 2837594
2-chloro-N-quinolin-6-ylacetamide
CID 3144388
methyl 2-(quinolin-6-ylamino)propanoate
CID 66172945
1-[4-methyl-6-(4-oxopentylamino)pyrimidin-2-yl]-3-quinolin-6-ylurea
CID 158702562
methyl 4-(3-fluoro-4-methoxyanilino)butanoate
CID 43380727
ethane;methyl 4-(4-methylanilino)butanoate
CID 170958107

Frequently Asked Questions

What is the IUPAC name of methyl 4-(quinolin-6-ylamino)butanoate?
The IUPAC name of methyl 4-(quinolin-6-ylamino)butanoate (CID 82539291) is methyl 4-(quinolin-6-ylamino)butanoate.
What is the SMILES notation for methyl 4-(quinolin-6-ylamino)butanoate?
The canonical SMILES for methyl 4-(quinolin-6-ylamino)butanoate is COC(=O)CCCNc1ccc2ncccc2c1.
What is the InChIKey of methyl 4-(quinolin-6-ylamino)butanoate?
The InChIKey is NHXYAXIZMWOIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-18-14(17)5-3-8-15-12-6-7-13-11(10-12)4-2-9-16-13/h2,4,6-7,9-10,15H,3,5,8H2,1H3.
What are the key properties of methyl 4-(quinolin-6-ylamino)butanoate?
methyl 4-(quinolin-6-ylamino)butanoate has a molecular weight of 244.29 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(quinolin-6-ylamino)butanoate is sourced from PubChem (CID 82539291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).