2-[4-[(5-chloroquinolin-8-yl)methyl]piperazin-1-yl]-N-cyclopropylacetamide

C19H23ClN4O — CID 55827715

IUPAC2-[4-[(5-chloroquinolin-8-yl)methyl]piperazin-1-yl]-N-cyclopropylacetamide
SMILESO=C(CN1CCN(Cc2ccc(Cl)c3cccnc23)CC1)NC1CC1
InChIInChI=1S/C19H23ClN4O/c20-17-6-3-14(19-16(17)2-1-7-21-19)12-23-8-10-24(11-9-23)13-18(25)22-15-4-5-15/h1-3,6-7,15H,4-5,8-13H2,(H,22,25)
InChIKeyQMXYEWPNIYPNAV-UHFFFAOYSA-N
MW358.87 g/mol
LogP2.28
Rot. Bonds5

About 2-[4-[(5-chloroquinolin-8-yl)methyl]piperazin-1-yl]-N-cyclopropylacetamide

2-[4-[(5-chloroquinolin-8-yl)methyl]piperazin-1-yl]-N-cyclopropylacetamide (PubChem CID 55827715) has the molecular formula C19H23ClN4O and a molecular weight of 358.87 g/mol. Its IUPAC name is 2-[4-[(5-chloroquinolin-8-yl)methyl]piperazin-1-yl]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[4-[(5-chloroquinolin-8-yl)methyl]piperazin-1-yl]-N-cyclopropylacetamide
PubChem CID55827715
Molecular FormulaC19H23ClN4O
Molecular Weight358.87 g/mol
Exact Mass358.16
IUPAC Name2-[4-[(5-chloroquinolin-8-yl)methyl]piperazin-1-yl]-N-cyclopropylacetamide
SMILESO=C(CN1CCN(Cc2ccc(Cl)c3cccnc23)CC1)NC1CC1
InChIInChI=1S/C19H23ClN4O/c20-17-6-3-14(19-16(17)2-1-7-21-19)12-23-8-10-24(11-9-23)13-18(25)22-15-4-5-15/h1-3,6-7,15H,4-5,8-13H2,(H,22,25)
InChIKeyQMXYEWPNIYPNAV-UHFFFAOYSA-N
XLogP2.28
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-[(5-chloroquinolin-8-yl)methyl]piperazin-1-yl]-N-cyclopropylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-8-[(4-cyclopentylpiperazin-1-yl)methyl]quinoline
CID 55852938
2-[1-[(5-chloroquinolin-8-yl)methyl]azepan-4-yl]acetic acid
CID 120953605
2-[(5-chloroquinolin-8-yl)amino]-N-cyclopropylacetamide
CID 116784065
5-chloro-8-[(4-propan-2-ylpiperazin-1-yl)methyl]quinoline
CID 87016276
N-cyclohexyl-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]acetamide
CID 9046933
1-[(5-chloroquinolin-8-yl)methyl]-2-methylpyrrolidine-3-carboxylic acid
CID 115960560
1-[(5-chloroquinolin-8-yl)methyl]-5-oxopyrrolidine-2-carboxylic acid
CID 103354702
(2S)-1-[(5-chloroquinolin-8-yl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 95299069
1-[(5-chloroquinolin-8-yl)methyl]-4-methylpiperidin-3-amine
CID 115959704
2-[4-[(3-chloro-1-benzothiophen-2-yl)methyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 34713853
N-cyclopropyl-2-[4-[2-(2,6-dichloroanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 30740870
1-[1-[(5-chloroquinolin-8-yl)methyl]piperidin-3-yl]ethanamine
CID 115741490

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-chloroquinolin-8-yl)methyl]piperazin-1-yl]-N-cyclopropylacetamide?
The IUPAC name of 2-[4-[(5-chloroquinolin-8-yl)methyl]piperazin-1-yl]-N-cyclopropylacetamide (CID 55827715) is 2-[4-[(5-chloroquinolin-8-yl)methyl]piperazin-1-yl]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[4-[(5-chloroquinolin-8-yl)methyl]piperazin-1-yl]-N-cyclopropylacetamide?
The canonical SMILES for 2-[4-[(5-chloroquinolin-8-yl)methyl]piperazin-1-yl]-N-cyclopropylacetamide is O=C(CN1CCN(Cc2ccc(Cl)c3cccnc23)CC1)NC1CC1.
What is the InChIKey of 2-[4-[(5-chloroquinolin-8-yl)methyl]piperazin-1-yl]-N-cyclopropylacetamide?
The InChIKey is QMXYEWPNIYPNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O/c20-17-6-3-14(19-16(17)2-1-7-21-19)12-23-8-10-24(11-9-23)13-18(25)22-15-4-5-15/h1-3,6-7,15H,4-5,8-13H2,(H,22,25).
What are the key properties of 2-[4-[(5-chloroquinolin-8-yl)methyl]piperazin-1-yl]-N-cyclopropylacetamide?
2-[4-[(5-chloroquinolin-8-yl)methyl]piperazin-1-yl]-N-cyclopropylacetamide has a molecular weight of 358.87 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-chloroquinolin-8-yl)methyl]piperazin-1-yl]-N-cyclopropylacetamide is sourced from PubChem (CID 55827715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).