benzyl 6,12-dioxoindolo[2,1-b]quinazoline-8-carboxylate

C23H14N2O4 — CID 505799

IUPACbenzyl 6,12-dioxoindolo[2,1-b]quinazoline-8-carboxylate
SMILESO=C(OCc1ccccc1)c1ccc2c(c1)C(=O)c1nc3ccccc3c(=O)n1-2
InChIInChI=1S/C23H14N2O4/c26-20-17-12-15(23(28)29-13-14-6-2-1-3-7-14)10-11-19(17)25-21(20)24-18-9-5-4-8-16(18)22(25)27/h1-12H,13H2
InChIKeyYUKSZCFASRSACT-UHFFFAOYSA-N
MW382.38 g/mol
LogP3.29
Rot. Bonds3

About benzyl 6,12-dioxoindolo[2,1-b]quinazoline-8-carboxylate

benzyl 6,12-dioxoindolo[2,1-b]quinazoline-8-carboxylate (PubChem CID 505799) has the molecular formula C23H14N2O4 and a molecular weight of 382.38 g/mol. Its IUPAC name is benzyl 6,12-dioxoindolo[2,1-b]quinazoline-8-carboxylate.

Molecular Properties

Compound Namebenzyl 6,12-dioxoindolo[2,1-b]quinazoline-8-carboxylate
PubChem CID505799
Molecular FormulaC23H14N2O4
Molecular Weight382.38 g/mol
Exact Mass382.10
IUPAC Namebenzyl 6,12-dioxoindolo[2,1-b]quinazoline-8-carboxylate
SMILESO=C(OCc1ccccc1)c1ccc2c(c1)C(=O)c1nc3ccccc3c(=O)n1-2
InChIInChI=1S/C23H14N2O4/c26-20-17-12-15(23(28)29-13-14-6-2-1-3-7-14)10-11-19(17)25-21(20)24-18-9-5-4-8-16(18)22(25)27/h1-12H,13H2
InChIKeyYUKSZCFASRSACT-UHFFFAOYSA-N
XLogP3.29
TPSA78.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.38
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-(4-oxo-2-propylquinazolin-3(4H)-yl)benzoate
CID 2190027
ethyl (E)-3-(8-fluoro-6,12-dioxoindolo[2,1-b]quinazolin-2-yl)prop-2-enoate
CID 156021414
Ethyl 6,12-dioxoindolo[2,1-b]quinazoline-8-carboxylate
CID 478657
ethyl 4-(2-methyl-4-oxoquinazolin-3(4H)-yl)benzoate
CID 744635
Ethyl 4-(4-oxo-2-phenylquinazolin-3-yl)benzoate
CID 1042824
Ethyl 4-methoxy-6,12-dioxoindolo[2,1-b]quinazoline-8-carboxylate
CID 505804
Methyl 1-benzyl-2,3-dioxo-indoline-5-carboxylate
CID 11493090
Ethyl 4-(2-ethyl-4-oxoquinazolin-3-yl)benzoate
CID 948855
Ethyl 2-iodo-6,12-dioxo-indolo[2,1-b]quinazoline-8-carboxylate
CID 505787
Ethyl 2,4-diiodo-6,12-dioxo-indolo[2,1-b]quinazoline-8-carboxylate
CID 505792
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

Frequently Asked Questions

What is the IUPAC name of benzyl 6,12-dioxoindolo[2,1-b]quinazoline-8-carboxylate?
The IUPAC name of benzyl 6,12-dioxoindolo[2,1-b]quinazoline-8-carboxylate (CID 505799) is benzyl 6,12-dioxoindolo[2,1-b]quinazoline-8-carboxylate.
What is the SMILES notation for benzyl 6,12-dioxoindolo[2,1-b]quinazoline-8-carboxylate?
The canonical SMILES for benzyl 6,12-dioxoindolo[2,1-b]quinazoline-8-carboxylate is O=C(OCc1ccccc1)c1ccc2c(c1)C(=O)c1nc3ccccc3c(=O)n1-2.
What is the InChIKey of benzyl 6,12-dioxoindolo[2,1-b]quinazoline-8-carboxylate?
The InChIKey is YUKSZCFASRSACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14N2O4/c26-20-17-12-15(23(28)29-13-14-6-2-1-3-7-14)10-11-19(17)25-21(20)24-18-9-5-4-8-16(18)22(25)27/h1-12H,13H2.
What are the key properties of benzyl 6,12-dioxoindolo[2,1-b]quinazoline-8-carboxylate?
benzyl 6,12-dioxoindolo[2,1-b]quinazoline-8-carboxylate has a molecular weight of 382.38 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 6,12-dioxoindolo[2,1-b]quinazoline-8-carboxylate is sourced from PubChem (CID 505799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).