ethyl 4-methoxy-6,12-dioxoindolo[2,1-b]quinazoline-8-carboxylate

C19H14N2O5 — CID 505804

IUPACethyl 4-methoxy-6,12-dioxoindolo[2,1-b]quinazoline-8-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)C(=O)c1nc3c(OC)cccc3c(=O)n1-2
InChIInChI=1S/C19H14N2O5/c1-3-26-19(24)10-7-8-13-12(9-10)16(22)17-20-15-11(18(23)21(13)17)5-4-6-14(15)25-2/h4-9H,3H2,1-2H3
InChIKeyVWWZWPCRIMWBSR-UHFFFAOYSA-N
MW350.33 g/mol
LogP2.12
Rot. Bonds3

About ethyl 4-methoxy-6,12-dioxoindolo[2,1-b]quinazoline-8-carboxylate

ethyl 4-methoxy-6,12-dioxoindolo[2,1-b]quinazoline-8-carboxylate (PubChem CID 505804) has the molecular formula C19H14N2O5 and a molecular weight of 350.33 g/mol. Its IUPAC name is ethyl 4-methoxy-6,12-dioxoindolo[2,1-b]quinazoline-8-carboxylate.

Molecular Properties

Compound Nameethyl 4-methoxy-6,12-dioxoindolo[2,1-b]quinazoline-8-carboxylate
PubChem CID505804
Molecular FormulaC19H14N2O5
Molecular Weight350.33 g/mol
Exact Mass350.09
IUPAC Nameethyl 4-methoxy-6,12-dioxoindolo[2,1-b]quinazoline-8-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)C(=O)c1nc3c(OC)cccc3c(=O)n1-2
InChIInChI=1S/C19H14N2O5/c1-3-26-19(24)10-7-8-13-12(9-10)16(22)17-20-15-11(18(23)21(13)17)5-4-6-14(15)25-2/h4-9H,3H2,1-2H3
InChIKeyVWWZWPCRIMWBSR-UHFFFAOYSA-N
XLogP2.12
TPSA87.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.33
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3,3-Dimethyl-8-{[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]carbonyl}-3,4-dihydropyrimido[1,2-a]indol-10(2H)-one
CID 11589775
Ethyl 6,12-dioxoindolo[2,1-b]quinazoline-8-carboxylate
CID 478657
8-Methoxyindolo[2,1-b]quinazoline-6,12-dione
CID 478576
8-Fluoro-4-methoxyindolo[2,1-b]quinazoline-6,12-dione
CID 478648
4-Methoxyindolo[2,1-b]quinazoline-6,12-dione
CID 479324
Ethyl 2-iodo-6,12-dioxo-indolo[2,1-b]quinazoline-8-carboxylate
CID 505787
Indolo[2,1-b]quinazoline-6,12-dione, 8-iodo-4-methoxy-
CID 505789
Ethyl 2,4-diiodo-6,12-dioxo-indolo[2,1-b]quinazoline-8-carboxylate
CID 505792
Benzyl 6,12-dioxoindolo[2,1-b]quinazoline-8-carboxylate
CID 505799
1-Methylheptyl 6,12-dioxoindolo[2,1-b]quinazoline-8-carboxylate
CID 505802
1-Methylheptyl 4-methoxy-6,12-dioxo-indolo[2,1-b]quinazoline-8-carboxylate
CID 505808
4-Methoxy-6,12-dioxoindolo[2,1-b]quinazoline-8-carboxylic acid
CID 505809

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methoxy-6,12-dioxoindolo[2,1-b]quinazoline-8-carboxylate?
The IUPAC name of ethyl 4-methoxy-6,12-dioxoindolo[2,1-b]quinazoline-8-carboxylate (CID 505804) is ethyl 4-methoxy-6,12-dioxoindolo[2,1-b]quinazoline-8-carboxylate.
What is the SMILES notation for ethyl 4-methoxy-6,12-dioxoindolo[2,1-b]quinazoline-8-carboxylate?
The canonical SMILES for ethyl 4-methoxy-6,12-dioxoindolo[2,1-b]quinazoline-8-carboxylate is CCOC(=O)c1ccc2c(c1)C(=O)c1nc3c(OC)cccc3c(=O)n1-2.
What is the InChIKey of ethyl 4-methoxy-6,12-dioxoindolo[2,1-b]quinazoline-8-carboxylate?
The InChIKey is VWWZWPCRIMWBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O5/c1-3-26-19(24)10-7-8-13-12(9-10)16(22)17-20-15-11(18(23)21(13)17)5-4-6-14(15)25-2/h4-9H,3H2,1-2H3.
What are the key properties of ethyl 4-methoxy-6,12-dioxoindolo[2,1-b]quinazoline-8-carboxylate?
ethyl 4-methoxy-6,12-dioxoindolo[2,1-b]quinazoline-8-carboxylate has a molecular weight of 350.33 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methoxy-6,12-dioxoindolo[2,1-b]quinazoline-8-carboxylate is sourced from PubChem (CID 505804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).