quinolin-4-ylmethyl 5-aminopyridine-2-carboxylate

C16H13N3O2 — CID 81312647

IUPACquinolin-4-ylmethyl 5-aminopyridine-2-carboxylate
SMILESNc1ccc(C(=O)OCc2ccnc3ccccc23)nc1
InChIInChI=1S/C16H13N3O2/c17-12-5-6-15(19-9-12)16(20)21-10-11-7-8-18-14-4-2-1-3-13(11)14/h1-9H,10,17H2
InChIKeyIWROVAGWRUQVAV-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.57
Rot. Bonds3

About quinolin-4-ylmethyl 5-aminopyridine-2-carboxylate

quinolin-4-ylmethyl 5-aminopyridine-2-carboxylate (PubChem CID 81312647) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is quinolin-4-ylmethyl 5-aminopyridine-2-carboxylate.

Molecular Properties

Compound Namequinolin-4-ylmethyl 5-aminopyridine-2-carboxylate
PubChem CID81312647
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Namequinolin-4-ylmethyl 5-aminopyridine-2-carboxylate
SMILESNc1ccc(C(=O)OCc2ccnc3ccccc23)nc1
InChIInChI=1S/C16H13N3O2/c17-12-5-6-15(19-9-12)16(20)21-10-11-7-8-18-14-4-2-1-3-13(11)14/h1-9H,10,17H2
InChIKeyIWROVAGWRUQVAV-UHFFFAOYSA-N
XLogP2.57
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

quinolin-4-ylmethyl hydrogen carbonate
CID 154246402
(2-methoxyphenyl)methyl 5-aminopyridine-2-carboxylate
CID 81317382
quinolin-4-ylmethyl 1H-pyrrole-3-carboxylate
CID 127262545
quinolin-4-ylmethyl 3-aminothiophene-2-carboxylate
CID 79240203
(4-carbamoyl-2-chlorophenyl)methyl 5-aminopyridine-2-carboxylate
CID 102669607
1-(5-methylpyrazin-2-yl)-2-quinolin-4-ylethanone
CID 105109033
(4-tert-butylphenyl)methyl 5-aminopyridine-2-carboxylate
CID 81312491
1-(5-chloro-2-pyridinyl)-2-quinolin-4-ylethanone
CID 11140584
3,5-dichloro-4-(quinolin-4-ylmethoxy)aniline
CID 79234359
3-fluoro-4-(quinolin-4-ylmethoxy)aniline
CID 79235627
butyl 5-aminopyridine-2-carboxylate
CID 81315833
cyclopropylmethyl 5-aminopyridine-2-carboxylate
CID 81316089

Frequently Asked Questions

What is the IUPAC name of quinolin-4-ylmethyl 5-aminopyridine-2-carboxylate?
The IUPAC name of quinolin-4-ylmethyl 5-aminopyridine-2-carboxylate (CID 81312647) is quinolin-4-ylmethyl 5-aminopyridine-2-carboxylate.
What is the SMILES notation for quinolin-4-ylmethyl 5-aminopyridine-2-carboxylate?
The canonical SMILES for quinolin-4-ylmethyl 5-aminopyridine-2-carboxylate is Nc1ccc(C(=O)OCc2ccnc3ccccc23)nc1.
What is the InChIKey of quinolin-4-ylmethyl 5-aminopyridine-2-carboxylate?
The InChIKey is IWROVAGWRUQVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c17-12-5-6-15(19-9-12)16(20)21-10-11-7-8-18-14-4-2-1-3-13(11)14/h1-9H,10,17H2.
What are the key properties of quinolin-4-ylmethyl 5-aminopyridine-2-carboxylate?
quinolin-4-ylmethyl 5-aminopyridine-2-carboxylate has a molecular weight of 279.30 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for quinolin-4-ylmethyl 5-aminopyridine-2-carboxylate is sourced from PubChem (CID 81312647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).