N-(2-methoxyethyl)-2-(propylamino)quinoline-4-carboxamide

C16H21N3O2 — CID 62170948

IUPACN-(2-methoxyethyl)-2-(propylamino)quinoline-4-carboxamide
SMILESCCCNc1cc(C(=O)NCCOC)c2ccccc2n1
InChIInChI=1S/C16H21N3O2/c1-3-8-17-15-11-13(16(20)18-9-10-21-2)12-6-4-5-7-14(12)19-15/h4-7,11H,3,8-10H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyOBXDKPPGKTZVPW-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.43
Rot. Bonds7

About N-(2-methoxyethyl)-2-(propylamino)quinoline-4-carboxamide

N-(2-methoxyethyl)-2-(propylamino)quinoline-4-carboxamide (PubChem CID 62170948) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-(propylamino)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-(propylamino)quinoline-4-carboxamide
PubChem CID62170948
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-(2-methoxyethyl)-2-(propylamino)quinoline-4-carboxamide
SMILESCCCNc1cc(C(=O)NCCOC)c2ccccc2n1
InChIInChI=1S/C16H21N3O2/c1-3-8-17-15-11-13(16(20)18-9-10-21-2)12-6-4-5-7-14(12)19-15/h4-7,11H,3,8-10H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyOBXDKPPGKTZVPW-UHFFFAOYSA-N
XLogP2.43
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-hydrazinyl-N-(2-methoxyethyl)quinoline-4-carboxamide
CID 62235922
2-(ethylamino)-N-(2-methoxyethyl)-N-methylquinoline-4-carboxamide
CID 62178126
2-amino-N-[2-(2-methoxyethoxy)ethyl]quinoline-4-carboxamide
CID 62160032
2-(4-ethylphenyl)sulfanyl-N-(2-methoxyethyl)quinoline-4-carboxamide
CID 5123542
2-(ethylamino)-N-pentan-2-ylquinoline-4-carboxamide
CID 62185765
2-(2,4-dimethoxyphenyl)-N-(2-methoxyethyl)quinoline-4-carboxamide
CID 4193084
N-propyl-2-[4-(trifluoromethyl)anilino]quinoline-4-carboxamide
CID 117079660
N-(2-acetamidoethyl)-2-hydrazinylquinoline-4-carboxamide
CID 62241412
2-(4-methoxybutylamino)quinoline-4-carbothioamide
CID 63886112
N-[2-[ethyl(methyl)amino]ethyl]-2-(methylamino)quinoline-4-carboxamide
CID 62640042
2-(ethylamino)-N-(2-methylbutyl)quinoline-4-carboxamide
CID 62692096
N-(2-phenoxyethyl)-2-(pyridin-3-ylmethylamino)quinoline-4-carboxamide
CID 117090736

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-(propylamino)quinoline-4-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-2-(propylamino)quinoline-4-carboxamide (CID 62170948) is N-(2-methoxyethyl)-2-(propylamino)quinoline-4-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-(propylamino)quinoline-4-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-2-(propylamino)quinoline-4-carboxamide is CCCNc1cc(C(=O)NCCOC)c2ccccc2n1.
What is the InChIKey of N-(2-methoxyethyl)-2-(propylamino)quinoline-4-carboxamide?
The InChIKey is OBXDKPPGKTZVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-3-8-17-15-11-13(16(20)18-9-10-21-2)12-6-4-5-7-14(12)19-15/h4-7,11H,3,8-10H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of N-(2-methoxyethyl)-2-(propylamino)quinoline-4-carboxamide?
N-(2-methoxyethyl)-2-(propylamino)quinoline-4-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-(propylamino)quinoline-4-carboxamide is sourced from PubChem (CID 62170948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).