[4-[3-[(1S)-1-aminoethyl]-8-chloroquinolin-2-yl]piperazin-1-yl]-cyclopropylmethanone

C19H23ClN4O — CID 66776677

IUPAC[4-[3-[(1S)-1-aminoethyl]-8-chloroquinolin-2-yl]piperazin-1-yl]-cyclopropylmethanone
SMILESC[C@H](N)c1cc2cccc(Cl)c2nc1N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C19H23ClN4O/c1-12(21)15-11-14-3-2-4-16(20)17(14)22-18(15)23-7-9-24(10-8-23)19(25)13-5-6-13/h2-4,11-13H,5-10,21H2,1H3/t12-/m0/s1
InChIKeyQVPFLEBLMJCZOT-LBPRGKRZSA-N
MW358.87 g/mol
LogP2.97
Rot. Bonds3

About [4-[3-[(1S)-1-aminoethyl]-8-chloroquinolin-2-yl]piperazin-1-yl]-cyclopropylmethanone

[4-[3-[(1S)-1-aminoethyl]-8-chloroquinolin-2-yl]piperazin-1-yl]-cyclopropylmethanone (PubChem CID 66776677) has the molecular formula C19H23ClN4O and a molecular weight of 358.87 g/mol. Its IUPAC name is [4-[3-[(1S)-1-aminoethyl]-8-chloroquinolin-2-yl]piperazin-1-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[4-[3-[(1S)-1-aminoethyl]-8-chloroquinolin-2-yl]piperazin-1-yl]-cyclopropylmethanone
PubChem CID66776677
Molecular FormulaC19H23ClN4O
Molecular Weight358.87 g/mol
Exact Mass358.16
IUPAC Name[4-[3-[(1S)-1-aminoethyl]-8-chloroquinolin-2-yl]piperazin-1-yl]-cyclopropylmethanone
SMILESC[C@H](N)c1cc2cccc(Cl)c2nc1N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C19H23ClN4O/c1-12(21)15-11-14-3-2-4-16(20)17(14)22-18(15)23-7-9-24(10-8-23)19(25)13-5-6-13/h2-4,11-13H,5-10,21H2,1H3/t12-/m0/s1
InChIKeyQVPFLEBLMJCZOT-LBPRGKRZSA-N
XLogP2.97
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-[3-[(1S)-1-aminoethyl]-8-chloroquinolin-2-yl]piperazin-1-yl]-cyclopropylmethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[3-[(1S)-1-aminoethyl]-8-chloroquinolin-2-yl]piperazin-1-yl]-cyclopropylmethanone?
The IUPAC name of [4-[3-[(1S)-1-aminoethyl]-8-chloroquinolin-2-yl]piperazin-1-yl]-cyclopropylmethanone (CID 66776677) is [4-[3-[(1S)-1-aminoethyl]-8-chloroquinolin-2-yl]piperazin-1-yl]-cyclopropylmethanone.
What is the SMILES notation for [4-[3-[(1S)-1-aminoethyl]-8-chloroquinolin-2-yl]piperazin-1-yl]-cyclopropylmethanone?
The canonical SMILES for [4-[3-[(1S)-1-aminoethyl]-8-chloroquinolin-2-yl]piperazin-1-yl]-cyclopropylmethanone is C[C@H](N)c1cc2cccc(Cl)c2nc1N1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of [4-[3-[(1S)-1-aminoethyl]-8-chloroquinolin-2-yl]piperazin-1-yl]-cyclopropylmethanone?
The InChIKey is QVPFLEBLMJCZOT-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H23ClN4O/c1-12(21)15-11-14-3-2-4-16(20)17(14)22-18(15)23-7-9-24(10-8-23)19(25)13-5-6-13/h2-4,11-13H,5-10,21H2,1H3/t12-/m0/s1.
What are the key properties of [4-[3-[(1S)-1-aminoethyl]-8-chloroquinolin-2-yl]piperazin-1-yl]-cyclopropylmethanone?
[4-[3-[(1S)-1-aminoethyl]-8-chloroquinolin-2-yl]piperazin-1-yl]-cyclopropylmethanone has a molecular weight of 358.87 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-[(1S)-1-aminoethyl]-8-chloroquinolin-2-yl]piperazin-1-yl]-cyclopropylmethanone is sourced from PubChem (CID 66776677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).