2-chloro-6-hydroxy-6-(quinolin-2-ylmethyl)indolo[2,1-b]quinazolin-12-one

C25H16ClN3O2 — CID 141497950

IUPAC2-chloro-6-hydroxy-6-(quinolin-2-ylmethyl)indolo[2,1-b]quinazolin-12-one
SMILESO=c1c2cc(Cl)ccc2nc2n1-c1ccccc1C2(O)Cc1ccc2ccccc2n1
InChIInChI=1S/C25H16ClN3O2/c26-16-10-12-21-18(13-16)23(30)29-22-8-4-2-6-19(22)25(31,24(29)28-21)14-17-11-9-15-5-1-3-7-20(15)27-17/h1-13,31H,14H2
InChIKeyINODZJOBIIIMHW-UHFFFAOYSA-N
MW425.88 g/mol
LogP4.38
Rot. Bonds2

About 2-chloro-6-hydroxy-6-(quinolin-2-ylmethyl)indolo[2,1-b]quinazolin-12-one

2-chloro-6-hydroxy-6-(quinolin-2-ylmethyl)indolo[2,1-b]quinazolin-12-one (PubChem CID 141497950) has the molecular formula C25H16ClN3O2 and a molecular weight of 425.88 g/mol. Its IUPAC name is 2-chloro-6-hydroxy-6-(quinolin-2-ylmethyl)indolo[2,1-b]quinazolin-12-one.

Molecular Properties

Compound Name2-chloro-6-hydroxy-6-(quinolin-2-ylmethyl)indolo[2,1-b]quinazolin-12-one
PubChem CID141497950
Molecular FormulaC25H16ClN3O2
Molecular Weight425.88 g/mol
Exact Mass425.09
IUPAC Name2-chloro-6-hydroxy-6-(quinolin-2-ylmethyl)indolo[2,1-b]quinazolin-12-one
SMILESO=c1c2cc(Cl)ccc2nc2n1-c1ccccc1C2(O)Cc1ccc2ccccc2n1
InChIInChI=1S/C25H16ClN3O2/c26-16-10-12-21-18(13-16)23(30)29-22-8-4-2-6-19(22)25(31,24(29)28-21)14-17-11-9-15-5-1-3-7-20(15)27-17/h1-13,31H,14H2
InChIKeyINODZJOBIIIMHW-UHFFFAOYSA-N
XLogP4.38
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.88
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-hydroxy-6-(quinolin-2-ylmethyl)indolo[2,1-b]quinazolin-12-one?
The IUPAC name of 2-chloro-6-hydroxy-6-(quinolin-2-ylmethyl)indolo[2,1-b]quinazolin-12-one (CID 141497950) is 2-chloro-6-hydroxy-6-(quinolin-2-ylmethyl)indolo[2,1-b]quinazolin-12-one.
What is the SMILES notation for 2-chloro-6-hydroxy-6-(quinolin-2-ylmethyl)indolo[2,1-b]quinazolin-12-one?
The canonical SMILES for 2-chloro-6-hydroxy-6-(quinolin-2-ylmethyl)indolo[2,1-b]quinazolin-12-one is O=c1c2cc(Cl)ccc2nc2n1-c1ccccc1C2(O)Cc1ccc2ccccc2n1.
What is the InChIKey of 2-chloro-6-hydroxy-6-(quinolin-2-ylmethyl)indolo[2,1-b]quinazolin-12-one?
The InChIKey is INODZJOBIIIMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16ClN3O2/c26-16-10-12-21-18(13-16)23(30)29-22-8-4-2-6-19(22)25(31,24(29)28-21)14-17-11-9-15-5-1-3-7-20(15)27-17/h1-13,31H,14H2.
What are the key properties of 2-chloro-6-hydroxy-6-(quinolin-2-ylmethyl)indolo[2,1-b]quinazolin-12-one?
2-chloro-6-hydroxy-6-(quinolin-2-ylmethyl)indolo[2,1-b]quinazolin-12-one has a molecular weight of 425.88 g/mol, XLogP of 4.38, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-hydroxy-6-(quinolin-2-ylmethyl)indolo[2,1-b]quinazolin-12-one is sourced from PubChem (CID 141497950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).