N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-3-piperidin-1-ylpropanamide

C32H33ClN6O3 — CID 46831433

IUPACN-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-3-piperidin-1-ylpropanamide
SMILESCCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)CCN1CCCCC1
InChIInChI=1S/C32H33ClN6O3/c1-2-41-30-18-27-25(17-28(30)38-31(40)11-15-39-13-6-3-7-14-39)32(22(19-34)20-36-27)37-23-9-10-29(26(33)16-23)42-21-24-8-4-5-12-35-24/h4-5,8-10,12,16-18,20H,2-3,6-7,11,13-15,21H2,1H3,(H,36,37)(H,38,40)
InChIKeyKNUFYYKLIKWKII-UHFFFAOYSA-N
MW585.11 g/mol
LogP6.69
Rot. Bonds11

About N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-3-piperidin-1-ylpropanamide

N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-3-piperidin-1-ylpropanamide (PubChem CID 46831433) has the molecular formula C32H33ClN6O3 and a molecular weight of 585.11 g/mol. Its IUPAC name is N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-3-piperidin-1-ylpropanamide.

Molecular Properties

Compound NameN-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-3-piperidin-1-ylpropanamide
PubChem CID46831433
Molecular FormulaC32H33ClN6O3
Molecular Weight585.11 g/mol
Exact Mass584.23
IUPAC NameN-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-3-piperidin-1-ylpropanamide
SMILESCCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)CCN1CCCCC1
InChIInChI=1S/C32H33ClN6O3/c1-2-41-30-18-27-25(17-28(30)38-31(40)11-15-39-13-6-3-7-14-39)32(22(19-34)20-36-27)37-23-9-10-29(26(33)16-23)42-21-24-8-4-5-12-35-24/h4-5,8-10,12,16-18,20H,2-3,6-7,11,13-15,21H2,1H3,(H,36,37)(H,38,40)
InChIKeyKNUFYYKLIKWKII-UHFFFAOYSA-N
XLogP6.69
TPSA112.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.11
LogP ≤ 56.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-3-piperidin-1-ylpropanamide 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 N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-3-piperidin-1-ylpropanamide?
The IUPAC name of N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-3-piperidin-1-ylpropanamide (CID 46831433) is N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-3-piperidin-1-ylpropanamide.
What is the SMILES notation for N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-3-piperidin-1-ylpropanamide?
The canonical SMILES for N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-3-piperidin-1-ylpropanamide is CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)CCN1CCCCC1.
What is the InChIKey of N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-3-piperidin-1-ylpropanamide?
The InChIKey is KNUFYYKLIKWKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33ClN6O3/c1-2-41-30-18-27-25(17-28(30)38-31(40)11-15-39-13-6-3-7-14-39)32(22(19-34)20-36-27)37-23-9-10-29(26(33)16-23)42-21-24-8-4-5-12-35-24/h4-5,8-10,12,16-18,20H,2-3,6-7,11,13-15,21H2,1H3,(H,36,37)(H,38,40).
What are the key properties of N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-3-piperidin-1-ylpropanamide?
N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-3-piperidin-1-ylpropanamide has a molecular weight of 585.11 g/mol, XLogP of 6.69, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-3-piperidin-1-ylpropanamide is sourced from PubChem (CID 46831433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).