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

C24H24N2O4 — CID 505802

IUPACoctan-2-yl 6,12-dioxoindolo[2,1-b]quinazoline-8-carboxylate
SMILESCCCCCCC(C)OC(=O)c1ccc2c(c1)C(=O)c1nc3ccccc3c(=O)n1-2
InChIInChI=1S/C24H24N2O4/c1-3-4-5-6-9-15(2)30-24(29)16-12-13-20-18(14-16)21(27)22-25-19-11-8-7-10-17(19)23(28)26(20)22/h7-8,10-15H,3-6,9H2,1-2H3
InChIKeyYAVCGOFMZCLOJE-UHFFFAOYSA-N
MW404.47 g/mol
LogP4.45
Rot. Bonds7

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

octan-2-yl 6,12-dioxoindolo[2,1-b]quinazoline-8-carboxylate (PubChem CID 505802) has the molecular formula C24H24N2O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is octan-2-yl 6,12-dioxoindolo[2,1-b]quinazoline-8-carboxylate.

Molecular Properties

Compound Nameoctan-2-yl 6,12-dioxoindolo[2,1-b]quinazoline-8-carboxylate
PubChem CID505802
Molecular FormulaC24H24N2O4
Molecular Weight404.47 g/mol
Exact Mass404.17
IUPAC Nameoctan-2-yl 6,12-dioxoindolo[2,1-b]quinazoline-8-carboxylate
SMILESCCCCCCC(C)OC(=O)c1ccc2c(c1)C(=O)c1nc3ccccc3c(=O)n1-2
InChIInChI=1S/C24H24N2O4/c1-3-4-5-6-9-15(2)30-24(29)16-12-13-20-18(14-16)21(27)22-25-19-11-8-7-10-17(19)23(28)26(20)22/h7-8,10-15H,3-6,9H2,1-2H3
InChIKeyYAVCGOFMZCLOJE-UHFFFAOYSA-N
XLogP4.45
TPSA78.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze octan-2-yl 6,12-dioxoindolo[2,1-b]quinazoline-8-carboxylate with MolForge

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Launch Full Analysis

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
Methyl 1-methyl-2,3-dioxoindoline-5-carboxylate
CID 515952
methyl 4-(2-methyl-4-oxoquinazolin-3(4H)-yl)benzoate
CID 742737
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
methyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-7-carboxylate;hydrochloride
CID 13105038
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

Frequently Asked Questions

What is the IUPAC name of octan-2-yl 6,12-dioxoindolo[2,1-b]quinazoline-8-carboxylate?
The IUPAC name of octan-2-yl 6,12-dioxoindolo[2,1-b]quinazoline-8-carboxylate (CID 505802) is octan-2-yl 6,12-dioxoindolo[2,1-b]quinazoline-8-carboxylate.
What is the SMILES notation for octan-2-yl 6,12-dioxoindolo[2,1-b]quinazoline-8-carboxylate?
The canonical SMILES for octan-2-yl 6,12-dioxoindolo[2,1-b]quinazoline-8-carboxylate is CCCCCCC(C)OC(=O)c1ccc2c(c1)C(=O)c1nc3ccccc3c(=O)n1-2.
What is the InChIKey of octan-2-yl 6,12-dioxoindolo[2,1-b]quinazoline-8-carboxylate?
The InChIKey is YAVCGOFMZCLOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4/c1-3-4-5-6-9-15(2)30-24(29)16-12-13-20-18(14-16)21(27)22-25-19-11-8-7-10-17(19)23(28)26(20)22/h7-8,10-15H,3-6,9H2,1-2H3.
What are the key properties of octan-2-yl 6,12-dioxoindolo[2,1-b]quinazoline-8-carboxylate?
octan-2-yl 6,12-dioxoindolo[2,1-b]quinazoline-8-carboxylate has a molecular weight of 404.47 g/mol, XLogP of 4.45, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for octan-2-yl 6,12-dioxoindolo[2,1-b]quinazoline-8-carboxylate is sourced from PubChem (CID 505802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).