[4-[7-(2-aminoethyl)-5-chloroquinolin-8-yl]piperazin-1-yl]-phenylmethanone

C22H23ClN4O — CID 67247122

IUPAC[4-[7-(2-aminoethyl)-5-chloroquinolin-8-yl]piperazin-1-yl]-phenylmethanone
SMILESNCCc1cc(Cl)c2cccnc2c1N1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C22H23ClN4O/c23-19-15-17(8-9-24)21(20-18(19)7-4-10-25-20)26-11-13-27(14-12-26)22(28)16-5-2-1-3-6-16/h1-7,10,15H,8-9,11-14,24H2
InChIKeyFNIWNNDWZUADFN-UHFFFAOYSA-N
MW394.91 g/mol
LogP3.35
Rot. Bonds4

About [4-[7-(2-aminoethyl)-5-chloroquinolin-8-yl]piperazin-1-yl]-phenylmethanone

[4-[7-(2-aminoethyl)-5-chloroquinolin-8-yl]piperazin-1-yl]-phenylmethanone (PubChem CID 67247122) has the molecular formula C22H23ClN4O and a molecular weight of 394.91 g/mol. Its IUPAC name is [4-[7-(2-aminoethyl)-5-chloroquinolin-8-yl]piperazin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-[7-(2-aminoethyl)-5-chloroquinolin-8-yl]piperazin-1-yl]-phenylmethanone
PubChem CID67247122
Molecular FormulaC22H23ClN4O
Molecular Weight394.91 g/mol
Exact Mass394.16
IUPAC Name[4-[7-(2-aminoethyl)-5-chloroquinolin-8-yl]piperazin-1-yl]-phenylmethanone
SMILESNCCc1cc(Cl)c2cccnc2c1N1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C22H23ClN4O/c23-19-15-17(8-9-24)21(20-18(19)7-4-10-25-20)26-11-13-27(14-12-26)22(28)16-5-2-1-3-6-16/h1-7,10,15H,8-9,11-14,24H2
InChIKeyFNIWNNDWZUADFN-UHFFFAOYSA-N
XLogP3.35
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.91
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[7-(2-aminoethyl)-5-chloroquinolin-8-yl]piperazin-1-yl]-(4-fluorophenyl)methanone
CID 67247043
[4-[7-(2-aminoethyl)-5-chloroquinolin-8-yl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 67247481
[4-[7-(2-aminoethyl)-5-chloroquinolin-8-yl]piperazin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 67247684
2-(5-chloro-8-piperidin-1-ylquinolin-7-yl)ethanamine
CID 173056499
1-[7-(2-aminoethyl)-5-chloroquinolin-8-yl]-4-phenylpiperidin-4-ol
CID 67248520
2-[5-chloro-8-[4-(pyridine-3-carbonyl)piperazin-1-yl]quinolin-7-yl]acetaldehyde
CID 87323983
5-chloro-8-[4-(2-hydroxyethyl)piperazin-1-yl]quinoline-7-carboxamide
CID 58368629
[4-(4-amino-2-chlorophenyl)piperazin-1-yl]-phenylmethanone
CID 805199
[4-[4-(2-chlorophenyl)phthalazin-1-yl]piperazin-1-yl]-phenylmethanone
CID 46891105
[4-(2-amino-5-chloro-1,3-benzothiazol-4-yl)piperazin-1-yl]-phenylmethanone
CID 50882821
1-benzyl-4-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-oxo-1,8-naphthyridine-3-carbonitrile
CID 59699648
[4-[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]-1,4-diazepan-1-yl]-phenylmethanone
CID 133270887

Frequently Asked Questions

What is the IUPAC name of [4-[7-(2-aminoethyl)-5-chloroquinolin-8-yl]piperazin-1-yl]-phenylmethanone?
The IUPAC name of [4-[7-(2-aminoethyl)-5-chloroquinolin-8-yl]piperazin-1-yl]-phenylmethanone (CID 67247122) is [4-[7-(2-aminoethyl)-5-chloroquinolin-8-yl]piperazin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-[7-(2-aminoethyl)-5-chloroquinolin-8-yl]piperazin-1-yl]-phenylmethanone?
The canonical SMILES for [4-[7-(2-aminoethyl)-5-chloroquinolin-8-yl]piperazin-1-yl]-phenylmethanone is NCCc1cc(Cl)c2cccnc2c1N1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of [4-[7-(2-aminoethyl)-5-chloroquinolin-8-yl]piperazin-1-yl]-phenylmethanone?
The InChIKey is FNIWNNDWZUADFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O/c23-19-15-17(8-9-24)21(20-18(19)7-4-10-25-20)26-11-13-27(14-12-26)22(28)16-5-2-1-3-6-16/h1-7,10,15H,8-9,11-14,24H2.
What are the key properties of [4-[7-(2-aminoethyl)-5-chloroquinolin-8-yl]piperazin-1-yl]-phenylmethanone?
[4-[7-(2-aminoethyl)-5-chloroquinolin-8-yl]piperazin-1-yl]-phenylmethanone has a molecular weight of 394.91 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[7-(2-aminoethyl)-5-chloroquinolin-8-yl]piperazin-1-yl]-phenylmethanone is sourced from PubChem (CID 67247122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).