1-(3,6-dimethyl-4-oxo-2-pyrazin-2-ylchromen-8-yl)ethylcarbamic acid

C18H17N3O4 — CID 174204740

IUPAC1-(3,6-dimethyl-4-oxo-2-pyrazin-2-ylchromen-8-yl)ethylcarbamic acid
SMILESCc1cc(C(C)NC(=O)O)c2oc(-c3cnccn3)c(C)c(=O)c2c1
InChIInChI=1S/C18H17N3O4/c1-9-6-12(11(3)21-18(23)24)17-13(7-9)15(22)10(2)16(25-17)14-8-19-4-5-20-14/h4-8,11,21H,1-3H3,(H,23,24)
InChIKeyFPXDZRPOGCNNJI-UHFFFAOYSA-N
MW339.35 g/mol
LogP3.20
Rot. Bonds3

About 1-(3,6-dimethyl-4-oxo-2-pyrazin-2-ylchromen-8-yl)ethylcarbamic acid

1-(3,6-dimethyl-4-oxo-2-pyrazin-2-ylchromen-8-yl)ethylcarbamic acid (PubChem CID 174204740) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is 1-(3,6-dimethyl-4-oxo-2-pyrazin-2-ylchromen-8-yl)ethylcarbamic acid.

Molecular Properties

Compound Name1-(3,6-dimethyl-4-oxo-2-pyrazin-2-ylchromen-8-yl)ethylcarbamic acid
PubChem CID174204740
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Name1-(3,6-dimethyl-4-oxo-2-pyrazin-2-ylchromen-8-yl)ethylcarbamic acid
SMILESCc1cc(C(C)NC(=O)O)c2oc(-c3cnccn3)c(C)c(=O)c2c1
InChIInChI=1S/C18H17N3O4/c1-9-6-12(11(3)21-18(23)24)17-13(7-9)15(22)10(2)16(25-17)14-8-19-4-5-20-14/h4-8,11,21H,1-3H3,(H,23,24)
InChIKeyFPXDZRPOGCNNJI-UHFFFAOYSA-N
XLogP3.20
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dimethyl-4-oxo-2-pyrazin-2-ylchromen-8-yl)ethylcarbamic acid?
The IUPAC name of 1-(3,6-dimethyl-4-oxo-2-pyrazin-2-ylchromen-8-yl)ethylcarbamic acid (CID 174204740) is 1-(3,6-dimethyl-4-oxo-2-pyrazin-2-ylchromen-8-yl)ethylcarbamic acid.
What is the SMILES notation for 1-(3,6-dimethyl-4-oxo-2-pyrazin-2-ylchromen-8-yl)ethylcarbamic acid?
The canonical SMILES for 1-(3,6-dimethyl-4-oxo-2-pyrazin-2-ylchromen-8-yl)ethylcarbamic acid is Cc1cc(C(C)NC(=O)O)c2oc(-c3cnccn3)c(C)c(=O)c2c1.
What is the InChIKey of 1-(3,6-dimethyl-4-oxo-2-pyrazin-2-ylchromen-8-yl)ethylcarbamic acid?
The InChIKey is FPXDZRPOGCNNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-9-6-12(11(3)21-18(23)24)17-13(7-9)15(22)10(2)16(25-17)14-8-19-4-5-20-14/h4-8,11,21H,1-3H3,(H,23,24).
What are the key properties of 1-(3,6-dimethyl-4-oxo-2-pyrazin-2-ylchromen-8-yl)ethylcarbamic acid?
1-(3,6-dimethyl-4-oxo-2-pyrazin-2-ylchromen-8-yl)ethylcarbamic acid has a molecular weight of 339.35 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dimethyl-4-oxo-2-pyrazin-2-ylchromen-8-yl)ethylcarbamic acid is sourced from PubChem (CID 174204740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).