N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide

C26H28FN5O2 — CID 5308835

IUPACN-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide
SMILESCn1c(C(=O)NCCN2CCN(c3ccccc3F)CC2)cc2c(=O)n(C)c3ccccc3c21
InChIInChI=1S/C26H28FN5O2/c1-29-23(17-19-24(29)18-7-3-5-9-21(18)30(2)26(19)34)25(33)28-11-12-31-13-15-32(16-14-31)22-10-6-4-8-20(22)27/h3-10,17H,11-16H2,1-2H3,(H,28,33)
InChIKeyACZXIWPQAADTJU-UHFFFAOYSA-N
MW461.54 g/mol
LogP2.72
Rot. Bonds5

About N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide

N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide (PubChem CID 5308835) has the molecular formula C26H28FN5O2 and a molecular weight of 461.54 g/mol. Its IUPAC name is N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide
PubChem CID5308835
Molecular FormulaC26H28FN5O2
Molecular Weight461.54 g/mol
Exact Mass461.22
IUPAC NameN-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide
SMILESCn1c(C(=O)NCCN2CCN(c3ccccc3F)CC2)cc2c(=O)n(C)c3ccccc3c21
InChIInChI=1S/C26H28FN5O2/c1-29-23(17-19-24(29)18-7-3-5-9-21(18)30(2)26(19)34)25(33)28-11-12-31-13-15-32(16-14-31)22-10-6-4-8-20(22)27/h3-10,17H,11-16H2,1-2H3,(H,28,33)
InChIKeyACZXIWPQAADTJU-UHFFFAOYSA-N
XLogP2.72
TPSA62.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.54
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide?
The IUPAC name of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide (CID 5308835) is N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide.
What is the SMILES notation for N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide?
The canonical SMILES for N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide is Cn1c(C(=O)NCCN2CCN(c3ccccc3F)CC2)cc2c(=O)n(C)c3ccccc3c21.
What is the InChIKey of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide?
The InChIKey is ACZXIWPQAADTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN5O2/c1-29-23(17-19-24(29)18-7-3-5-9-21(18)30(2)26(19)34)25(33)28-11-12-31-13-15-32(16-14-31)22-10-6-4-8-20(22)27/h3-10,17H,11-16H2,1-2H3,(H,28,33).
What are the key properties of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide?
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide has a molecular weight of 461.54 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide is sourced from PubChem (CID 5308835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).