N-[2-[(3-cyano-6-methoxyquinolin-2-yl)amino]ethyl]cyclobutanecarboxamide

C18H20N4O2 — CID 3221729

IUPACN-[2-[(3-cyano-6-methoxyquinolin-2-yl)amino]ethyl]cyclobutanecarboxamide
SMILESCOc1ccc2nc(NCCNC(=O)C3CCC3)c(C#N)cc2c1
InChIInChI=1S/C18H20N4O2/c1-24-15-5-6-16-13(10-15)9-14(11-19)17(22-16)20-7-8-21-18(23)12-3-2-4-12/h5-6,9-10,12H,2-4,7-8H2,1H3,(H,20,22)(H,21,23)
InChIKeyVQTNSEIRWQRHKV-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.44
Rot. Bonds6

About N-[2-[(3-cyano-6-methoxyquinolin-2-yl)amino]ethyl]cyclobutanecarboxamide

N-[2-[(3-cyano-6-methoxyquinolin-2-yl)amino]ethyl]cyclobutanecarboxamide (PubChem CID 3221729) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-[2-[(3-cyano-6-methoxyquinolin-2-yl)amino]ethyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[2-[(3-cyano-6-methoxyquinolin-2-yl)amino]ethyl]cyclobutanecarboxamide
PubChem CID3221729
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC NameN-[2-[(3-cyano-6-methoxyquinolin-2-yl)amino]ethyl]cyclobutanecarboxamide
SMILESCOc1ccc2nc(NCCNC(=O)C3CCC3)c(C#N)cc2c1
InChIInChI=1S/C18H20N4O2/c1-24-15-5-6-16-13(10-15)9-14(11-19)17(22-16)20-7-8-21-18(23)12-3-2-4-12/h5-6,9-10,12H,2-4,7-8H2,1H3,(H,20,22)(H,21,23)
InChIKeyVQTNSEIRWQRHKV-UHFFFAOYSA-N
XLogP2.44
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(3-cyano-6-methoxyquinolin-1-ium-2-yl)amino]ethyl]cyclobutanecarboxamide
CID 7434779
N-[2-[(3-cyano-6,7-dimethylquinolin-2-yl)amino]ethyl]cyclopropanecarboxamide
CID 3221678
1-[2-[(3-cyano-6-ethoxyquinolin-2-yl)amino]ethyl]-3-(3-methoxyphenyl)urea
CID 3215183
1-[2-[(3-cyano-6-methoxyquinolin-2-yl)amino]ethyl]-3-(2,3-dimethylphenyl)thiourea
CID 43815307
N-[2-[(3-cyano-6,8-dimethylquinolin-2-yl)amino]ethyl]cyclohexanecarboxamide
CID 3217041
N-[2-[(6-ethoxy-3-methylquinolin-2-yl)amino]ethyl]cyclopropanecarboxamide
CID 652221
N-[2-[(3-cyano-6-ethoxyquinolin-2-yl)amino]ethyl]-3,3-dimethylbutanamide
CID 44754257
1-[2-[(3-cyano-6-ethoxyquinolin-2-yl)amino]ethyl]-3-(2-methoxyethyl)thiourea
CID 3221564
N-[2-(cyclopentanecarbonylamino)ethyl]-3-methoxybenzamide
CID 134039540
1-[2-[(3-cyano-6-ethoxyquinolin-2-yl)amino]ethyl]-3-(3-methoxypropyl)thiourea
CID 3221578
N-[3-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]propyl]cyclopropanecarboxamide
CID 4523986
1-[2-[(3-cyano-6-ethoxyquinolin-2-yl)amino]ethyl]-3-(4-fluorophenyl)urea
CID 43813688

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-cyano-6-methoxyquinolin-2-yl)amino]ethyl]cyclobutanecarboxamide?
The IUPAC name of N-[2-[(3-cyano-6-methoxyquinolin-2-yl)amino]ethyl]cyclobutanecarboxamide (CID 3221729) is N-[2-[(3-cyano-6-methoxyquinolin-2-yl)amino]ethyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[2-[(3-cyano-6-methoxyquinolin-2-yl)amino]ethyl]cyclobutanecarboxamide?
The canonical SMILES for N-[2-[(3-cyano-6-methoxyquinolin-2-yl)amino]ethyl]cyclobutanecarboxamide is COc1ccc2nc(NCCNC(=O)C3CCC3)c(C#N)cc2c1.
What is the InChIKey of N-[2-[(3-cyano-6-methoxyquinolin-2-yl)amino]ethyl]cyclobutanecarboxamide?
The InChIKey is VQTNSEIRWQRHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-24-15-5-6-16-13(10-15)9-14(11-19)17(22-16)20-7-8-21-18(23)12-3-2-4-12/h5-6,9-10,12H,2-4,7-8H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-[2-[(3-cyano-6-methoxyquinolin-2-yl)amino]ethyl]cyclobutanecarboxamide?
N-[2-[(3-cyano-6-methoxyquinolin-2-yl)amino]ethyl]cyclobutanecarboxamide has a molecular weight of 324.38 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-cyano-6-methoxyquinolin-2-yl)amino]ethyl]cyclobutanecarboxamide is sourced from PubChem (CID 3221729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).