methyl 4-[[(Z)-2-amino-2-(2-oxo-1H-quinolin-3-yl)ethenyl]amino]pyridine-2-carboxylate

C18H16N4O3 — CID 130244896

IUPACmethyl 4-[[(Z)-2-amino-2-(2-oxo-1H-quinolin-3-yl)ethenyl]amino]pyridine-2-carboxylate
SMILESCOC(=O)c1cc(N/C=C(\N)c2cc3ccccc3[nH]c2=O)ccn1
InChIInChI=1S/C18H16N4O3/c1-25-18(24)16-9-12(6-7-20-16)21-10-14(19)13-8-11-4-2-3-5-15(11)22-17(13)23/h2-10H,19H2,1H3,(H,20,21)(H,22,23)/b14-10-
InChIKeyRXFZNSGJEZVTJK-UVTDQMKNSA-N
MW336.35 g/mol
LogP2.08
Rot. Bonds4

About methyl 4-[[(Z)-2-amino-2-(2-oxo-1H-quinolin-3-yl)ethenyl]amino]pyridine-2-carboxylate

methyl 4-[[(Z)-2-amino-2-(2-oxo-1H-quinolin-3-yl)ethenyl]amino]pyridine-2-carboxylate (PubChem CID 130244896) has the molecular formula C18H16N4O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is methyl 4-[[(Z)-2-amino-2-(2-oxo-1H-quinolin-3-yl)ethenyl]amino]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[(Z)-2-amino-2-(2-oxo-1H-quinolin-3-yl)ethenyl]amino]pyridine-2-carboxylate
PubChem CID130244896
Molecular FormulaC18H16N4O3
Molecular Weight336.35 g/mol
Exact Mass336.12
IUPAC Namemethyl 4-[[(Z)-2-amino-2-(2-oxo-1H-quinolin-3-yl)ethenyl]amino]pyridine-2-carboxylate
SMILESCOC(=O)c1cc(N/C=C(\N)c2cc3ccccc3[nH]c2=O)ccn1
InChIInChI=1S/C18H16N4O3/c1-25-18(24)16-9-12(6-7-20-16)21-10-14(19)13-8-11-4-2-3-5-15(11)22-17(13)23/h2-10H,19H2,1H3,(H,20,21)(H,22,23)/b14-10-
InChIKeyRXFZNSGJEZVTJK-UVTDQMKNSA-N
XLogP2.08
TPSA110.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[[(Z)-2-amino-2-(2-oxo-1H-quinolin-3-yl)ethenyl]amino]pyridine-2-carboxylate?
The IUPAC name of methyl 4-[[(Z)-2-amino-2-(2-oxo-1H-quinolin-3-yl)ethenyl]amino]pyridine-2-carboxylate (CID 130244896) is methyl 4-[[(Z)-2-amino-2-(2-oxo-1H-quinolin-3-yl)ethenyl]amino]pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-[[(Z)-2-amino-2-(2-oxo-1H-quinolin-3-yl)ethenyl]amino]pyridine-2-carboxylate?
The canonical SMILES for methyl 4-[[(Z)-2-amino-2-(2-oxo-1H-quinolin-3-yl)ethenyl]amino]pyridine-2-carboxylate is COC(=O)c1cc(N/C=C(\N)c2cc3ccccc3[nH]c2=O)ccn1.
What is the InChIKey of methyl 4-[[(Z)-2-amino-2-(2-oxo-1H-quinolin-3-yl)ethenyl]amino]pyridine-2-carboxylate?
The InChIKey is RXFZNSGJEZVTJK-UVTDQMKNSA-N. The full InChI is InChI=1S/C18H16N4O3/c1-25-18(24)16-9-12(6-7-20-16)21-10-14(19)13-8-11-4-2-3-5-15(11)22-17(13)23/h2-10H,19H2,1H3,(H,20,21)(H,22,23)/b14-10-.
What are the key properties of methyl 4-[[(Z)-2-amino-2-(2-oxo-1H-quinolin-3-yl)ethenyl]amino]pyridine-2-carboxylate?
methyl 4-[[(Z)-2-amino-2-(2-oxo-1H-quinolin-3-yl)ethenyl]amino]pyridine-2-carboxylate has a molecular weight of 336.35 g/mol, XLogP of 2.08, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[(Z)-2-amino-2-(2-oxo-1H-quinolin-3-yl)ethenyl]amino]pyridine-2-carboxylate is sourced from PubChem (CID 130244896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).