2-[4-(4-fluorobenzoyl)piperazin-1-yl]-7-methylquinoline-3-carbonitrile

C22H19FN4O — CID 43812755

IUPAC2-[4-(4-fluorobenzoyl)piperazin-1-yl]-7-methylquinoline-3-carbonitrile
SMILESCc1ccc2cc(C#N)c(N3CCN(C(=O)c4ccc(F)cc4)CC3)nc2c1
InChIInChI=1S/C22H19FN4O/c1-15-2-3-17-13-18(14-24)21(25-20(17)12-15)26-8-10-27(11-9-26)22(28)16-4-6-19(23)7-5-16/h2-7,12-13H,8-11H2,1H3
InChIKeyMKGRHZGMQDTWIZ-UHFFFAOYSA-N
MW374.42 g/mol
LogP3.52
Rot. Bonds2

About 2-[4-(4-fluorobenzoyl)piperazin-1-yl]-7-methylquinoline-3-carbonitrile

2-[4-(4-fluorobenzoyl)piperazin-1-yl]-7-methylquinoline-3-carbonitrile (PubChem CID 43812755) has the molecular formula C22H19FN4O and a molecular weight of 374.42 g/mol. Its IUPAC name is 2-[4-(4-fluorobenzoyl)piperazin-1-yl]-7-methylquinoline-3-carbonitrile.

Molecular Properties

Compound Name2-[4-(4-fluorobenzoyl)piperazin-1-yl]-7-methylquinoline-3-carbonitrile
PubChem CID43812755
Molecular FormulaC22H19FN4O
Molecular Weight374.42 g/mol
Exact Mass374.15
IUPAC Name2-[4-(4-fluorobenzoyl)piperazin-1-yl]-7-methylquinoline-3-carbonitrile
SMILESCc1ccc2cc(C#N)c(N3CCN(C(=O)c4ccc(F)cc4)CC3)nc2c1
InChIInChI=1S/C22H19FN4O/c1-15-2-3-17-13-18(14-24)21(25-20(17)12-15)26-8-10-27(11-9-26)22(28)16-4-6-19(23)7-5-16/h2-7,12-13H,8-11H2,1H3
InChIKeyMKGRHZGMQDTWIZ-UHFFFAOYSA-N
XLogP3.52
TPSA60.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-ethoxy-2-[4-(4-fluorobenzoyl)piperazin-1-yl]quinoline-3-carbonitrile
CID 1454377
2-[4-(3-fluorobenzoyl)piperazin-1-yl]-6,7-dimethylquinoline-3-carbonitrile
CID 1454324
2-[4-(4-methoxybenzoyl)piperazin-1-yl]-5,7-dimethylquinoline-3-carbonitrile
CID 46904958
2-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methylquinoline-3-carbonitrile
CID 857474
2-(4-fluorophenyl)-5-[4-(4-methylbenzoyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile
CID 42587142
2-[4-(4-fluorobenzoyl)piperazin-1-yl]benzonitrile
CID 113080805
[4-(2-bromo-4-methylphenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 113079474
2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]quinoline-3-carbonitrile
CID 110348555
4-acetyl-2-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]benzonitrile
CID 133455861
2-[4-(4-chlorophenyl)sulfonyl-1,4-diazepan-1-yl]-7-methylquinoline-3-carbonitrile
CID 1451710
(4-fluorophenyl)-[4-(3-phenylquinoxalin-2-yl)piperazin-1-yl]methanone
CID 46093007
6-fluoro-4-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-8-methylquinoline-3-carbonitrile
CID 133306222

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorobenzoyl)piperazin-1-yl]-7-methylquinoline-3-carbonitrile?
The IUPAC name of 2-[4-(4-fluorobenzoyl)piperazin-1-yl]-7-methylquinoline-3-carbonitrile (CID 43812755) is 2-[4-(4-fluorobenzoyl)piperazin-1-yl]-7-methylquinoline-3-carbonitrile.
What is the SMILES notation for 2-[4-(4-fluorobenzoyl)piperazin-1-yl]-7-methylquinoline-3-carbonitrile?
The canonical SMILES for 2-[4-(4-fluorobenzoyl)piperazin-1-yl]-7-methylquinoline-3-carbonitrile is Cc1ccc2cc(C#N)c(N3CCN(C(=O)c4ccc(F)cc4)CC3)nc2c1.
What is the InChIKey of 2-[4-(4-fluorobenzoyl)piperazin-1-yl]-7-methylquinoline-3-carbonitrile?
The InChIKey is MKGRHZGMQDTWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O/c1-15-2-3-17-13-18(14-24)21(25-20(17)12-15)26-8-10-27(11-9-26)22(28)16-4-6-19(23)7-5-16/h2-7,12-13H,8-11H2,1H3.
What are the key properties of 2-[4-(4-fluorobenzoyl)piperazin-1-yl]-7-methylquinoline-3-carbonitrile?
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-7-methylquinoline-3-carbonitrile has a molecular weight of 374.42 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorobenzoyl)piperazin-1-yl]-7-methylquinoline-3-carbonitrile is sourced from PubChem (CID 43812755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).