3-(3-ethoxypropyl)chromeno[3,4-b]pyrazin-5-one

C16H16N2O3 — CID 171804142

IUPAC3-(3-ethoxypropyl)chromeno[3,4-b]pyrazin-5-one
SMILESCCOCCCc1cnc2c(n1)c(=O)oc1ccccc12
InChIInChI=1S/C16H16N2O3/c1-2-20-9-5-6-11-10-17-14-12-7-3-4-8-13(12)21-16(19)15(14)18-11/h3-4,7-8,10H,2,5-6,9H2,1H3
InChIKeyQFYICXQJIXXLNT-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.71
Rot. Bonds5

About 3-(3-ethoxypropyl)chromeno[3,4-b]pyrazin-5-one

3-(3-ethoxypropyl)chromeno[3,4-b]pyrazin-5-one (PubChem CID 171804142) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is 3-(3-ethoxypropyl)chromeno[3,4-b]pyrazin-5-one.

Molecular Properties

Compound Name3-(3-ethoxypropyl)chromeno[3,4-b]pyrazin-5-one
PubChem CID171804142
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name3-(3-ethoxypropyl)chromeno[3,4-b]pyrazin-5-one
SMILESCCOCCCc1cnc2c(n1)c(=O)oc1ccccc12
InChIInChI=1S/C16H16N2O3/c1-2-20-9-5-6-11-10-17-14-12-7-3-4-8-13(12)21-16(19)15(14)18-11/h3-4,7-8,10H,2,5-6,9H2,1H3
InChIKeyQFYICXQJIXXLNT-UHFFFAOYSA-N
XLogP2.71
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

3-[3-[butyl-[(3-methoxyphenyl)methyl]amino]propyl]chromeno[3,4-b]pyrazin-5-one
CID 171804118
chromeno[3,4-b]pyrazin-5-one
CID 691239
3,4-diethoxychromen-2-one
CID 90255816
N-[(2-butyl-1-benzofuran-3-yl)methyl]-3-ethoxypropan-1-amine
CID 43392217
N-(3-ethoxypropyl)-4-oxothieno[3,2-c]chromene-2-carboxamide
CID 22334383
2-cyclopropylchromeno[4,3-d]pyrimidin-5-one
CID 154732245
1,2-dimethylchromeno[3,4-d]imidazol-4-one
CID 773639
1-(3-ethoxypropyl)-2-ethylbenzene
CID 143469114
2-benzylchromeno[4,3-d]pyrimidin-5-one
CID 86055767
2-(ethoxymethyl)-4-methyl-[1]benzofuro[3,2-d]pyrimidine
CID 171560459
3-(3-ethoxypropyl)quinoline
CID 91801315
9-butylbenzo[c]chromen-6-one
CID 102375140

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxypropyl)chromeno[3,4-b]pyrazin-5-one?
The IUPAC name of 3-(3-ethoxypropyl)chromeno[3,4-b]pyrazin-5-one (CID 171804142) is 3-(3-ethoxypropyl)chromeno[3,4-b]pyrazin-5-one.
What is the SMILES notation for 3-(3-ethoxypropyl)chromeno[3,4-b]pyrazin-5-one?
The canonical SMILES for 3-(3-ethoxypropyl)chromeno[3,4-b]pyrazin-5-one is CCOCCCc1cnc2c(n1)c(=O)oc1ccccc12.
What is the InChIKey of 3-(3-ethoxypropyl)chromeno[3,4-b]pyrazin-5-one?
The InChIKey is QFYICXQJIXXLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-2-20-9-5-6-11-10-17-14-12-7-3-4-8-13(12)21-16(19)15(14)18-11/h3-4,7-8,10H,2,5-6,9H2,1H3.
What are the key properties of 3-(3-ethoxypropyl)chromeno[3,4-b]pyrazin-5-one?
3-(3-ethoxypropyl)chromeno[3,4-b]pyrazin-5-one has a molecular weight of 284.31 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxypropyl)chromeno[3,4-b]pyrazin-5-one is sourced from PubChem (CID 171804142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).