4-(3,4-dihydro-2H-1,4-benzoxazin-2-yl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one

C16H15N3O2 — CID 118467702

IUPAC4-(3,4-dihydro-2H-1,4-benzoxazin-2-yl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
SMILESCn1cc(C2CNc3ccccc3O2)c2cc[nH]c2c1=O
InChIInChI=1S/C16H15N3O2/c1-19-9-11(10-6-7-17-15(10)16(19)20)14-8-18-12-4-2-3-5-13(12)21-14/h2-7,9,14,17-18H,8H2,1H3
InChIKeyKKSJEJYYNNZJQD-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.41
Rot. Bonds1

About 4-(3,4-dihydro-2H-1,4-benzoxazin-2-yl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one

4-(3,4-dihydro-2H-1,4-benzoxazin-2-yl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one (PubChem CID 118467702) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-1,4-benzoxazin-2-yl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-1,4-benzoxazin-2-yl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
PubChem CID118467702
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name4-(3,4-dihydro-2H-1,4-benzoxazin-2-yl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
SMILESCn1cc(C2CNc3ccccc3O2)c2cc[nH]c2c1=O
InChIInChI=1S/C16H15N3O2/c1-19-9-11(10-6-7-17-15(10)16(19)20)14-8-18-12-4-2-3-5-13(12)21-14/h2-7,9,14,17-18H,8H2,1H3
InChIKeyKKSJEJYYNNZJQD-UHFFFAOYSA-N
XLogP2.41
TPSA59.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-1,4-benzoxazin-2-yl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one?
The IUPAC name of 4-(3,4-dihydro-2H-1,4-benzoxazin-2-yl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one (CID 118467702) is 4-(3,4-dihydro-2H-1,4-benzoxazin-2-yl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one.
What is the SMILES notation for 4-(3,4-dihydro-2H-1,4-benzoxazin-2-yl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one?
The canonical SMILES for 4-(3,4-dihydro-2H-1,4-benzoxazin-2-yl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one is Cn1cc(C2CNc3ccccc3O2)c2cc[nH]c2c1=O.
What is the InChIKey of 4-(3,4-dihydro-2H-1,4-benzoxazin-2-yl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one?
The InChIKey is KKSJEJYYNNZJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-19-9-11(10-6-7-17-15(10)16(19)20)14-8-18-12-4-2-3-5-13(12)21-14/h2-7,9,14,17-18H,8H2,1H3.
What are the key properties of 4-(3,4-dihydro-2H-1,4-benzoxazin-2-yl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one?
4-(3,4-dihydro-2H-1,4-benzoxazin-2-yl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one has a molecular weight of 281.31 g/mol, XLogP of 2.41, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-1,4-benzoxazin-2-yl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 118467702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).