(5-chloro-1H-indol-2-yl)-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methanone

C22H18Cl2N4O — CID 134140214

IUPAC(5-chloro-1H-indol-2-yl)-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methanone
SMILESO=C(c1cc2cc(Cl)ccc2[nH]1)N1CCN(c2ccnc3cc(Cl)ccc23)CC1
InChIInChI=1S/C22H18Cl2N4O/c23-15-2-4-18-14(11-15)12-20(26-18)22(29)28-9-7-27(8-10-28)21-5-6-25-19-13-16(24)1-3-17(19)21/h1-6,11-13,26H,7-10H2
InChIKeyROMOSVFEUUZEHB-UHFFFAOYSA-N
MW425.32 g/mol
LogP4.99
Rot. Bonds2

About (5-chloro-1H-indol-2-yl)-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methanone

(5-chloro-1H-indol-2-yl)-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methanone (PubChem CID 134140214) has the molecular formula C22H18Cl2N4O and a molecular weight of 425.32 g/mol. Its IUPAC name is (5-chloro-1H-indol-2-yl)-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-chloro-1H-indol-2-yl)-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methanone
PubChem CID134140214
Molecular FormulaC22H18Cl2N4O
Molecular Weight425.32 g/mol
Exact Mass424.09
IUPAC Name(5-chloro-1H-indol-2-yl)-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methanone
SMILESO=C(c1cc2cc(Cl)ccc2[nH]1)N1CCN(c2ccnc3cc(Cl)ccc23)CC1
InChIInChI=1S/C22H18Cl2N4O/c23-15-2-4-18-14(11-15)12-20(26-18)22(29)28-9-7-27(8-10-28)21-5-6-25-19-13-16(24)1-3-17(19)21/h1-6,11-13,26H,7-10H2
InChIKeyROMOSVFEUUZEHB-UHFFFAOYSA-N
XLogP4.99
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.32
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-1H-indol-2-yl)-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methanone?
The IUPAC name of (5-chloro-1H-indol-2-yl)-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methanone (CID 134140214) is (5-chloro-1H-indol-2-yl)-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (5-chloro-1H-indol-2-yl)-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for (5-chloro-1H-indol-2-yl)-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methanone is O=C(c1cc2cc(Cl)ccc2[nH]1)N1CCN(c2ccnc3cc(Cl)ccc23)CC1.
What is the InChIKey of (5-chloro-1H-indol-2-yl)-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methanone?
The InChIKey is ROMOSVFEUUZEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2N4O/c23-15-2-4-18-14(11-15)12-20(26-18)22(29)28-9-7-27(8-10-28)21-5-6-25-19-13-16(24)1-3-17(19)21/h1-6,11-13,26H,7-10H2.
What are the key properties of (5-chloro-1H-indol-2-yl)-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methanone?
(5-chloro-1H-indol-2-yl)-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methanone has a molecular weight of 425.32 g/mol, XLogP of 4.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1H-indol-2-yl)-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 134140214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).