(4-chlorophenyl)-[4-[3-(cyclopropylamino)-7-fluoroquinoxalin-2-yl]piperazin-1-yl]methanone

C22H21ClFN5O — CID 90038068

IUPAC(4-chlorophenyl)-[4-[3-(cyclopropylamino)-7-fluoroquinoxalin-2-yl]piperazin-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCN(c2nc3cc(F)ccc3nc2NC2CC2)CC1
InChIInChI=1S/C22H21ClFN5O/c23-15-3-1-14(2-4-15)22(30)29-11-9-28(10-12-29)21-20(25-17-6-7-17)26-18-8-5-16(24)13-19(18)27-21/h1-5,8,13,17H,6-7,9-12H2,(H,25,26)
InChIKeyRZZVAUWRTVEGAQ-UHFFFAOYSA-N
MW425.90 g/mol
LogP3.96
Rot. Bonds4

About (4-chlorophenyl)-[4-[3-(cyclopropylamino)-7-fluoroquinoxalin-2-yl]piperazin-1-yl]methanone

(4-chlorophenyl)-[4-[3-(cyclopropylamino)-7-fluoroquinoxalin-2-yl]piperazin-1-yl]methanone (PubChem CID 90038068) has the molecular formula C22H21ClFN5O and a molecular weight of 425.90 g/mol. Its IUPAC name is (4-chlorophenyl)-[4-[3-(cyclopropylamino)-7-fluoroquinoxalin-2-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[4-[3-(cyclopropylamino)-7-fluoroquinoxalin-2-yl]piperazin-1-yl]methanone
PubChem CID90038068
Molecular FormulaC22H21ClFN5O
Molecular Weight425.90 g/mol
Exact Mass425.14
IUPAC Name(4-chlorophenyl)-[4-[3-(cyclopropylamino)-7-fluoroquinoxalin-2-yl]piperazin-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCN(c2nc3cc(F)ccc3nc2NC2CC2)CC1
InChIInChI=1S/C22H21ClFN5O/c23-15-3-1-14(2-4-15)22(30)29-11-9-28(10-12-29)21-20(25-17-6-7-17)26-18-8-5-16(24)13-19(18)27-21/h1-5,8,13,17H,6-7,9-12H2,(H,25,26)
InChIKeyRZZVAUWRTVEGAQ-UHFFFAOYSA-N
XLogP3.96
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.90
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[4-[3-(cyclopropylamino)-7-fluoroquinoxalin-2-yl]piperazin-1-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[4-[3-(cyclopropylamino)-7-fluoroquinoxalin-2-yl]piperazin-1-yl]methanone (CID 90038068) is (4-chlorophenyl)-[4-[3-(cyclopropylamino)-7-fluoroquinoxalin-2-yl]piperazin-1-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[4-[3-(cyclopropylamino)-7-fluoroquinoxalin-2-yl]piperazin-1-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[4-[3-(cyclopropylamino)-7-fluoroquinoxalin-2-yl]piperazin-1-yl]methanone is O=C(c1ccc(Cl)cc1)N1CCN(c2nc3cc(F)ccc3nc2NC2CC2)CC1.
What is the InChIKey of (4-chlorophenyl)-[4-[3-(cyclopropylamino)-7-fluoroquinoxalin-2-yl]piperazin-1-yl]methanone?
The InChIKey is RZZVAUWRTVEGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClFN5O/c23-15-3-1-14(2-4-15)22(30)29-11-9-28(10-12-29)21-20(25-17-6-7-17)26-18-8-5-16(24)13-19(18)27-21/h1-5,8,13,17H,6-7,9-12H2,(H,25,26).
What are the key properties of (4-chlorophenyl)-[4-[3-(cyclopropylamino)-7-fluoroquinoxalin-2-yl]piperazin-1-yl]methanone?
(4-chlorophenyl)-[4-[3-(cyclopropylamino)-7-fluoroquinoxalin-2-yl]piperazin-1-yl]methanone has a molecular weight of 425.90 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[4-[3-(cyclopropylamino)-7-fluoroquinoxalin-2-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 90038068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).