2-chloro-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]quinoline-4-carboxamide

C22H23ClN2O4 — CID 55797712

IUPAC2-chloro-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]quinoline-4-carboxamide
SMILESCOCCOc1ccc(C(C)NC(=O)c2cc(Cl)nc3ccccc23)cc1OC
InChIInChI=1S/C22H23ClN2O4/c1-14(15-8-9-19(20(12-15)28-3)29-11-10-27-2)24-22(26)17-13-21(23)25-18-7-5-4-6-16(17)18/h4-9,12-14H,10-11H2,1-3H3,(H,24,26)
InChIKeyGSQZEKYPEFKGKH-UHFFFAOYSA-N
MW414.89 g/mol
LogP4.41
Rot. Bonds8

About 2-chloro-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]quinoline-4-carboxamide

2-chloro-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]quinoline-4-carboxamide (PubChem CID 55797712) has the molecular formula C22H23ClN2O4 and a molecular weight of 414.89 g/mol. Its IUPAC name is 2-chloro-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]quinoline-4-carboxamide
PubChem CID55797712
Molecular FormulaC22H23ClN2O4
Molecular Weight414.89 g/mol
Exact Mass414.13
IUPAC Name2-chloro-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]quinoline-4-carboxamide
SMILESCOCCOc1ccc(C(C)NC(=O)c2cc(Cl)nc3ccccc23)cc1OC
InChIInChI=1S/C22H23ClN2O4/c1-14(15-8-9-19(20(12-15)28-3)29-11-10-27-2)24-22(26)17-13-21(23)25-18-7-5-4-6-16(17)18/h4-9,12-14H,10-11H2,1-3H3,(H,24,26)
InChIKeyGSQZEKYPEFKGKH-UHFFFAOYSA-N
XLogP4.41
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.89
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]quinoline-4-carboxamide
CID 16574262
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-phenylquinoline-4-carboxamide
CID 2220812
N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-2-phenylbenzamide
CID 55748194
1-benzyl-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]indole-3-carboxamide
CID 55972027
5-bromo-2-chloro-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]benzamide
CID 55748470
2-(2,5-dimethoxyphenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]quinoline-4-carboxamide
CID 2965771
2-bromo-5-chloro-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]benzamide
CID 78890426
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 1261789
2-chloro-N-[2-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethylamino]-2-oxoethyl]benzamide
CID 55869434
1-ethyl-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55797489
N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 55819706
2-(3,4-dimethoxyphenyl)-N-[(1S)-1-phenylethyl]quinoline-4-carboxamide
CID 1273223

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]quinoline-4-carboxamide?
The IUPAC name of 2-chloro-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]quinoline-4-carboxamide (CID 55797712) is 2-chloro-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-chloro-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]quinoline-4-carboxamide?
The canonical SMILES for 2-chloro-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]quinoline-4-carboxamide is COCCOc1ccc(C(C)NC(=O)c2cc(Cl)nc3ccccc23)cc1OC.
What is the InChIKey of 2-chloro-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]quinoline-4-carboxamide?
The InChIKey is GSQZEKYPEFKGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O4/c1-14(15-8-9-19(20(12-15)28-3)29-11-10-27-2)24-22(26)17-13-21(23)25-18-7-5-4-6-16(17)18/h4-9,12-14H,10-11H2,1-3H3,(H,24,26).
What are the key properties of 2-chloro-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]quinoline-4-carboxamide?
2-chloro-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]quinoline-4-carboxamide has a molecular weight of 414.89 g/mol, XLogP of 4.41, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]quinoline-4-carboxamide is sourced from PubChem (CID 55797712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).