7-amino-8-(5-hydroxycyclohexa-1,5-dien-1-yl)-1,3-dimethyl-2-oxoquinoxaline-6-carboxamide

C17H18N4O3 — CID 177021405

IUPAC7-amino-8-(5-hydroxycyclohexa-1,5-dien-1-yl)-1,3-dimethyl-2-oxoquinoxaline-6-carboxamide
SMILESCc1nc2cc(C(N)=O)c(N)c(C3=CCCC(O)=C3)c2n(C)c1=O
InChIInChI=1S/C17H18N4O3/c1-8-17(24)21(2)15-12(20-8)7-11(16(19)23)14(18)13(15)9-4-3-5-10(22)6-9/h4,6-7,22H,3,5,18H2,1-2H3,(H2,19,23)
InChIKeyRIRMEWRFUHUQPM-UHFFFAOYSA-N
MW326.36 g/mol
LogP1.54
Rot. Bonds2

About 7-amino-8-(5-hydroxycyclohexa-1,5-dien-1-yl)-1,3-dimethyl-2-oxoquinoxaline-6-carboxamide

7-amino-8-(5-hydroxycyclohexa-1,5-dien-1-yl)-1,3-dimethyl-2-oxoquinoxaline-6-carboxamide (PubChem CID 177021405) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is 7-amino-8-(5-hydroxycyclohexa-1,5-dien-1-yl)-1,3-dimethyl-2-oxoquinoxaline-6-carboxamide.

Molecular Properties

Compound Name7-amino-8-(5-hydroxycyclohexa-1,5-dien-1-yl)-1,3-dimethyl-2-oxoquinoxaline-6-carboxamide
PubChem CID177021405
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Name7-amino-8-(5-hydroxycyclohexa-1,5-dien-1-yl)-1,3-dimethyl-2-oxoquinoxaline-6-carboxamide
SMILESCc1nc2cc(C(N)=O)c(N)c(C3=CCCC(O)=C3)c2n(C)c1=O
InChIInChI=1S/C17H18N4O3/c1-8-17(24)21(2)15-12(20-8)7-11(16(19)23)14(18)13(15)9-4-3-5-10(22)6-9/h4,6-7,22H,3,5,18H2,1-2H3,(H2,19,23)
InChIKeyRIRMEWRFUHUQPM-UHFFFAOYSA-N
XLogP1.54
TPSA124.23 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-amino-8-(5-hydroxycyclohexa-1,5-dien-1-yl)-1,3-dimethyl-2-oxoquinoxaline-6-carboxamide?
The IUPAC name of 7-amino-8-(5-hydroxycyclohexa-1,5-dien-1-yl)-1,3-dimethyl-2-oxoquinoxaline-6-carboxamide (CID 177021405) is 7-amino-8-(5-hydroxycyclohexa-1,5-dien-1-yl)-1,3-dimethyl-2-oxoquinoxaline-6-carboxamide.
What is the SMILES notation for 7-amino-8-(5-hydroxycyclohexa-1,5-dien-1-yl)-1,3-dimethyl-2-oxoquinoxaline-6-carboxamide?
The canonical SMILES for 7-amino-8-(5-hydroxycyclohexa-1,5-dien-1-yl)-1,3-dimethyl-2-oxoquinoxaline-6-carboxamide is Cc1nc2cc(C(N)=O)c(N)c(C3=CCCC(O)=C3)c2n(C)c1=O.
What is the InChIKey of 7-amino-8-(5-hydroxycyclohexa-1,5-dien-1-yl)-1,3-dimethyl-2-oxoquinoxaline-6-carboxamide?
The InChIKey is RIRMEWRFUHUQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-8-17(24)21(2)15-12(20-8)7-11(16(19)23)14(18)13(15)9-4-3-5-10(22)6-9/h4,6-7,22H,3,5,18H2,1-2H3,(H2,19,23).
What are the key properties of 7-amino-8-(5-hydroxycyclohexa-1,5-dien-1-yl)-1,3-dimethyl-2-oxoquinoxaline-6-carboxamide?
7-amino-8-(5-hydroxycyclohexa-1,5-dien-1-yl)-1,3-dimethyl-2-oxoquinoxaline-6-carboxamide has a molecular weight of 326.36 g/mol, XLogP of 1.54, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-8-(5-hydroxycyclohexa-1,5-dien-1-yl)-1,3-dimethyl-2-oxoquinoxaline-6-carboxamide is sourced from PubChem (CID 177021405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).