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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Related Compounds

[(1R)-1-[2-(3-fluoro-2-pyridinyl)-3,6-dimethyl-4-oxochromen-8-yl]ethyl]carbamic acid
CID 174166887
(Z)-3-amino-N-[1-(3,6-dimethyl-4-oxo-2-pyridin-3-ylchromen-8-yl)ethyl]but-2-enethioamide
CID 169268993
3-[[(1R)-1-[3,6-dimethyl-2-(2-methyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)-4-oxochromen-8-yl]ethyl]amino]pyridine-2-carboxylic acid
CID 166146559
8-[(1R)-1-aminoethyl]-3,6-dimethyl-2-pyrimidin-5-ylchromen-4-one
CID 169268963
8-(1-aminoethyl)-2-(5-fluoro-2-pyridinyl)-3,6-dimethylchromen-4-one
CID 174202660
8-[1-[2-(hydroxymethyl)anilino]ethyl]-3,6-dimethyl-2-pyridin-3-ylchromen-4-one
CID 174209844
2-[1-(3,6-dimethyl-4-oxo-2-thieno[3,2-c]pyridin-2-ylchromen-8-yl)ethylamino]benzoic acid
CID 166146622
6-chloro-3-[(1R)-1-(3,6-dimethyl-4-oxo-2-pyridin-2-ylchromen-8-yl)ethoxy]pyridine-2-carboxylic acid
CID 171549075
2-[1-(3,6-dimethyl-4-oxo-2-pyridin-2-ylchromen-8-yl)ethylamino]-N'-hydrazinylbenzenecarboximidamide
CID 169270027
N-cyclopentyl-3-[1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethylamino]pyridine-2-carboxamide
CID 169270069
6-chloro-3-[1-(6-methyl-4-oxo-2-pyrazin-2-ylchromen-8-yl)ethylamino]pyridine-2-carboxylic acid
CID 166111776
8-[1-[(2-fluoro-3-pyridinyl)amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one
CID 169270678

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).