1-benzyl-8-methoxypyrido[4,3-b]indolizine-5,7-dione

C19H14N2O3 — CID 10426008

IUPAC1-benzyl-8-methoxypyrido[4,3-b]indolizine-5,7-dione
SMILESCOc1cn2c(cc1=O)C(=O)c1ccnc(Cc3ccccc3)c1-2
InChIInChI=1S/C19H14N2O3/c1-24-17-11-21-15(10-16(17)22)19(23)13-7-8-20-14(18(13)21)9-12-5-3-2-4-6-12/h2-8,10-11H,9H2,1H3
InChIKeySKYCQYHSCUMMRT-UHFFFAOYSA-N
MW318.33 g/mol
LogP2.38
Rot. Bonds3

About 1-benzyl-8-methoxypyrido[4,3-b]indolizine-5,7-dione

1-benzyl-8-methoxypyrido[4,3-b]indolizine-5,7-dione (PubChem CID 10426008) has the molecular formula C19H14N2O3 and a molecular weight of 318.33 g/mol. Its IUPAC name is 1-benzyl-8-methoxypyrido[4,3-b]indolizine-5,7-dione.

Molecular Properties

Compound Name1-benzyl-8-methoxypyrido[4,3-b]indolizine-5,7-dione
PubChem CID10426008
Molecular FormulaC19H14N2O3
Molecular Weight318.33 g/mol
Exact Mass318.10
IUPAC Name1-benzyl-8-methoxypyrido[4,3-b]indolizine-5,7-dione
SMILESCOc1cn2c(cc1=O)C(=O)c1ccnc(Cc3ccccc3)c1-2
InChIInChI=1S/C19H14N2O3/c1-24-17-11-21-15(10-16(17)22)19(23)13-7-8-20-14(18(13)21)9-12-5-3-2-4-6-12/h2-8,10-11H,9H2,1H3
InChIKeySKYCQYHSCUMMRT-UHFFFAOYSA-N
XLogP2.38
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-8-methoxypyrido[4,3-b]indolizine-5,7-dione?
The IUPAC name of 1-benzyl-8-methoxypyrido[4,3-b]indolizine-5,7-dione (CID 10426008) is 1-benzyl-8-methoxypyrido[4,3-b]indolizine-5,7-dione.
What is the SMILES notation for 1-benzyl-8-methoxypyrido[4,3-b]indolizine-5,7-dione?
The canonical SMILES for 1-benzyl-8-methoxypyrido[4,3-b]indolizine-5,7-dione is COc1cn2c(cc1=O)C(=O)c1ccnc(Cc3ccccc3)c1-2.
What is the InChIKey of 1-benzyl-8-methoxypyrido[4,3-b]indolizine-5,7-dione?
The InChIKey is SKYCQYHSCUMMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O3/c1-24-17-11-21-15(10-16(17)22)19(23)13-7-8-20-14(18(13)21)9-12-5-3-2-4-6-12/h2-8,10-11H,9H2,1H3.
What are the key properties of 1-benzyl-8-methoxypyrido[4,3-b]indolizine-5,7-dione?
1-benzyl-8-methoxypyrido[4,3-b]indolizine-5,7-dione has a molecular weight of 318.33 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-8-methoxypyrido[4,3-b]indolizine-5,7-dione is sourced from PubChem (CID 10426008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).