(5aR,6R)-2-bromo-8-chloro-6-hydroxy-5a,6-dihydro-5H-indolo[2,1-b]quinazolin-12-one

C15H10BrClN2O2 — CID 171716033

IUPAC(5aR,6R)-2-bromo-8-chloro-6-hydroxy-5a,6-dihydro-5H-indolo[2,1-b]quinazolin-12-one
SMILESO=C1c2cc(Br)ccc2N[C@H]2[C@H](O)c3cc(Cl)ccc3N12
InChIInChI=1S/C15H10BrClN2O2/c16-7-1-3-11-9(5-7)15(21)19-12-4-2-8(17)6-10(12)13(20)14(19)18-11/h1-6,13-14,18,20H/t13-,14-/m1/s1
InChIKeyIFGUYBXVTCNECO-ZIAGYGMSSA-N
MW365.61 g/mol
LogP3.55
Rot. Bonds

About (5aR,6R)-2-bromo-8-chloro-6-hydroxy-5a,6-dihydro-5H-indolo[2,1-b]quinazolin-12-one

(5aR,6R)-2-bromo-8-chloro-6-hydroxy-5a,6-dihydro-5H-indolo[2,1-b]quinazolin-12-one (PubChem CID 171716033) has the molecular formula C15H10BrClN2O2 and a molecular weight of 365.61 g/mol. Its IUPAC name is (5aR,6R)-2-bromo-8-chloro-6-hydroxy-5a,6-dihydro-5H-indolo[2,1-b]quinazolin-12-one.

Molecular Properties

Compound Name(5aR,6R)-2-bromo-8-chloro-6-hydroxy-5a,6-dihydro-5H-indolo[2,1-b]quinazolin-12-one
PubChem CID171716033
Molecular FormulaC15H10BrClN2O2
Molecular Weight365.61 g/mol
Exact Mass363.96
IUPAC Name(5aR,6R)-2-bromo-8-chloro-6-hydroxy-5a,6-dihydro-5H-indolo[2,1-b]quinazolin-12-one
SMILESO=C1c2cc(Br)ccc2N[C@H]2[C@H](O)c3cc(Cl)ccc3N12
InChIInChI=1S/C15H10BrClN2O2/c16-7-1-3-11-9(5-7)15(21)19-12-4-2-8(17)6-10(12)13(20)14(19)18-11/h1-6,13-14,18,20H/t13-,14-/m1/s1
InChIKeyIFGUYBXVTCNECO-ZIAGYGMSSA-N
XLogP3.55
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.61
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5aR,6R)-2-bromo-8-chloro-6-hydroxy-5a,6-dihydro-5H-indolo[2,1-b]quinazolin-12-one?
The IUPAC name of (5aR,6R)-2-bromo-8-chloro-6-hydroxy-5a,6-dihydro-5H-indolo[2,1-b]quinazolin-12-one (CID 171716033) is (5aR,6R)-2-bromo-8-chloro-6-hydroxy-5a,6-dihydro-5H-indolo[2,1-b]quinazolin-12-one.
What is the SMILES notation for (5aR,6R)-2-bromo-8-chloro-6-hydroxy-5a,6-dihydro-5H-indolo[2,1-b]quinazolin-12-one?
The canonical SMILES for (5aR,6R)-2-bromo-8-chloro-6-hydroxy-5a,6-dihydro-5H-indolo[2,1-b]quinazolin-12-one is O=C1c2cc(Br)ccc2N[C@H]2[C@H](O)c3cc(Cl)ccc3N12.
What is the InChIKey of (5aR,6R)-2-bromo-8-chloro-6-hydroxy-5a,6-dihydro-5H-indolo[2,1-b]quinazolin-12-one?
The InChIKey is IFGUYBXVTCNECO-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H10BrClN2O2/c16-7-1-3-11-9(5-7)15(21)19-12-4-2-8(17)6-10(12)13(20)14(19)18-11/h1-6,13-14,18,20H/t13-,14-/m1/s1.
What are the key properties of (5aR,6R)-2-bromo-8-chloro-6-hydroxy-5a,6-dihydro-5H-indolo[2,1-b]quinazolin-12-one?
(5aR,6R)-2-bromo-8-chloro-6-hydroxy-5a,6-dihydro-5H-indolo[2,1-b]quinazolin-12-one has a molecular weight of 365.61 g/mol, XLogP of 3.55, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5aR,6R)-2-bromo-8-chloro-6-hydroxy-5a,6-dihydro-5H-indolo[2,1-b]quinazolin-12-one is sourced from PubChem (CID 171716033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).