[4-(2-fluorophenyl)piperazin-1-yl]-(8-methyl-9H-pyrrolo[3,2-h]quinolin-2-yl)methanone

C23H21FN4O — CID 135410459

IUPAC[4-(2-fluorophenyl)piperazin-1-yl]-(8-methyl-9H-pyrrolo[3,2-h]quinolin-2-yl)methanone
SMILESCc1ccc2ccc3cc(C(=O)N4CCN(c5ccccc5F)CC4)nc3c2[nH]1
InChIInChI=1S/C23H21FN4O/c1-15-6-7-16-8-9-17-14-19(26-22(17)21(16)25-15)23(29)28-12-10-27(11-13-28)20-5-3-2-4-18(20)24/h2-9,14,25H,10-13H2,1H3
InChIKeyYWGYSGUJWPNRIN-UHFFFAOYSA-N
MW388.45 g/mol
LogP4.13
Rot. Bonds2

About [4-(2-fluorophenyl)piperazin-1-yl]-(8-methyl-9H-pyrrolo[3,2-h]quinolin-2-yl)methanone

[4-(2-fluorophenyl)piperazin-1-yl]-(8-methyl-9H-pyrrolo[3,2-h]quinolin-2-yl)methanone (PubChem CID 135410459) has the molecular formula C23H21FN4O and a molecular weight of 388.45 g/mol. Its IUPAC name is [4-(2-fluorophenyl)piperazin-1-yl]-(8-methyl-9H-pyrrolo[3,2-h]quinolin-2-yl)methanone.

Molecular Properties

Compound Name[4-(2-fluorophenyl)piperazin-1-yl]-(8-methyl-9H-pyrrolo[3,2-h]quinolin-2-yl)methanone
PubChem CID135410459
Molecular FormulaC23H21FN4O
Molecular Weight388.45 g/mol
Exact Mass388.17
IUPAC Name[4-(2-fluorophenyl)piperazin-1-yl]-(8-methyl-9H-pyrrolo[3,2-h]quinolin-2-yl)methanone
SMILESCc1ccc2ccc3cc(C(=O)N4CCN(c5ccccc5F)CC4)nc3c2[nH]1
InChIInChI=1S/C23H21FN4O/c1-15-6-7-16-8-9-17-14-19(26-22(17)21(16)25-15)23(29)28-12-10-27(11-13-28)20-5-3-2-4-18(20)24/h2-9,14,25H,10-13H2,1H3
InChIKeyYWGYSGUJWPNRIN-UHFFFAOYSA-N
XLogP4.13
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-(8-methyl-9H-pyrrolo[3,2-h]quinolin-2-yl)methanone?
The IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-(8-methyl-9H-pyrrolo[3,2-h]quinolin-2-yl)methanone (CID 135410459) is [4-(2-fluorophenyl)piperazin-1-yl]-(8-methyl-9H-pyrrolo[3,2-h]quinolin-2-yl)methanone.
What is the SMILES notation for [4-(2-fluorophenyl)piperazin-1-yl]-(8-methyl-9H-pyrrolo[3,2-h]quinolin-2-yl)methanone?
The canonical SMILES for [4-(2-fluorophenyl)piperazin-1-yl]-(8-methyl-9H-pyrrolo[3,2-h]quinolin-2-yl)methanone is Cc1ccc2ccc3cc(C(=O)N4CCN(c5ccccc5F)CC4)nc3c2[nH]1.
What is the InChIKey of [4-(2-fluorophenyl)piperazin-1-yl]-(8-methyl-9H-pyrrolo[3,2-h]quinolin-2-yl)methanone?
The InChIKey is YWGYSGUJWPNRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O/c1-15-6-7-16-8-9-17-14-19(26-22(17)21(16)25-15)23(29)28-12-10-27(11-13-28)20-5-3-2-4-18(20)24/h2-9,14,25H,10-13H2,1H3.
What are the key properties of [4-(2-fluorophenyl)piperazin-1-yl]-(8-methyl-9H-pyrrolo[3,2-h]quinolin-2-yl)methanone?
[4-(2-fluorophenyl)piperazin-1-yl]-(8-methyl-9H-pyrrolo[3,2-h]quinolin-2-yl)methanone has a molecular weight of 388.45 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluorophenyl)piperazin-1-yl]-(8-methyl-9H-pyrrolo[3,2-h]quinolin-2-yl)methanone is sourced from PubChem (CID 135410459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).