1-chloro-10-fluoro-5a,12a-dihydroindolo[2,1-b]quinazoline-6,12-dione

C15H8ClFN2O2 — CID 141425286

IUPAC1-chloro-10-fluoro-5a,12a-dihydroindolo[2,1-b]quinazoline-6,12-dione
SMILESO=C1c2cccc(F)c2N2C(=O)C3C(Cl)=CC=CC3=NC12
InChIInChI=1S/C15H8ClFN2O2/c16-8-4-2-6-10-11(8)15(21)19-12-7(3-1-5-9(12)17)13(20)14(19)18-10/h1-6,11,14H
InChIKeyVDUKOTOZNMHNPC-UHFFFAOYSA-N
MW302.69 g/mol
LogP2.44
Rot. Bonds

About 1-chloro-10-fluoro-5a,12a-dihydroindolo[2,1-b]quinazoline-6,12-dione

1-chloro-10-fluoro-5a,12a-dihydroindolo[2,1-b]quinazoline-6,12-dione (PubChem CID 141425286) has the molecular formula C15H8ClFN2O2 and a molecular weight of 302.69 g/mol. Its IUPAC name is 1-chloro-10-fluoro-5a,12a-dihydroindolo[2,1-b]quinazoline-6,12-dione.

Molecular Properties

Compound Name1-chloro-10-fluoro-5a,12a-dihydroindolo[2,1-b]quinazoline-6,12-dione
PubChem CID141425286
Molecular FormulaC15H8ClFN2O2
Molecular Weight302.69 g/mol
Exact Mass302.03
IUPAC Name1-chloro-10-fluoro-5a,12a-dihydroindolo[2,1-b]quinazoline-6,12-dione
SMILESO=C1c2cccc(F)c2N2C(=O)C3C(Cl)=CC=CC3=NC12
InChIInChI=1S/C15H8ClFN2O2/c16-8-4-2-6-10-11(8)15(21)19-12-7(3-1-5-9(12)17)13(20)14(19)18-10/h1-6,11,14H
InChIKeyVDUKOTOZNMHNPC-UHFFFAOYSA-N
XLogP2.44
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.69
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-10-fluoro-5a,12a-dihydroindolo[2,1-b]quinazoline-6,12-dione?
The IUPAC name of 1-chloro-10-fluoro-5a,12a-dihydroindolo[2,1-b]quinazoline-6,12-dione (CID 141425286) is 1-chloro-10-fluoro-5a,12a-dihydroindolo[2,1-b]quinazoline-6,12-dione.
What is the SMILES notation for 1-chloro-10-fluoro-5a,12a-dihydroindolo[2,1-b]quinazoline-6,12-dione?
The canonical SMILES for 1-chloro-10-fluoro-5a,12a-dihydroindolo[2,1-b]quinazoline-6,12-dione is O=C1c2cccc(F)c2N2C(=O)C3C(Cl)=CC=CC3=NC12.
What is the InChIKey of 1-chloro-10-fluoro-5a,12a-dihydroindolo[2,1-b]quinazoline-6,12-dione?
The InChIKey is VDUKOTOZNMHNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClFN2O2/c16-8-4-2-6-10-11(8)15(21)19-12-7(3-1-5-9(12)17)13(20)14(19)18-10/h1-6,11,14H.
What are the key properties of 1-chloro-10-fluoro-5a,12a-dihydroindolo[2,1-b]quinazoline-6,12-dione?
1-chloro-10-fluoro-5a,12a-dihydroindolo[2,1-b]quinazoline-6,12-dione has a molecular weight of 302.69 g/mol, XLogP of 2.44, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-10-fluoro-5a,12a-dihydroindolo[2,1-b]quinazoline-6,12-dione is sourced from PubChem (CID 141425286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).