N-[2-[(3-cyano-6-ethoxyquinolin-1-ium-2-yl)amino]ethyl]morpholine-4-carboxamide

C19H24N5O3+ — CID 7391212

IUPACN-[2-[(3-cyano-6-ethoxyquinolin-1-ium-2-yl)amino]ethyl]morpholine-4-carboxamide
SMILESCCOc1ccc2[nH+]c(NCCNC(=O)N3CCOCC3)c(C#N)cc2c1
InChIInChI=1S/C19H23N5O3/c1-2-27-16-3-4-17-14(12-16)11-15(13-20)18(23-17)21-5-6-22-19(25)24-7-9-26-10-8-24/h3-4,11-12H,2,5-10H2,1H3,(H,21,23)(H,22,25)/p+1
InChIKeyVMEJHKMBDTVTAP-UHFFFAOYSA-O
MW370.43 g/mol
LogP1.38
Rot. Bonds6

About N-[2-[(3-cyano-6-ethoxyquinolin-1-ium-2-yl)amino]ethyl]morpholine-4-carboxamide

N-[2-[(3-cyano-6-ethoxyquinolin-1-ium-2-yl)amino]ethyl]morpholine-4-carboxamide (PubChem CID 7391212) has the molecular formula C19H24N5O3+ and a molecular weight of 370.43 g/mol. Its IUPAC name is N-[2-[(3-cyano-6-ethoxyquinolin-1-ium-2-yl)amino]ethyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(3-cyano-6-ethoxyquinolin-1-ium-2-yl)amino]ethyl]morpholine-4-carboxamide
PubChem CID7391212
Molecular FormulaC19H24N5O3+
Molecular Weight370.43 g/mol
Exact Mass370.19
IUPAC NameN-[2-[(3-cyano-6-ethoxyquinolin-1-ium-2-yl)amino]ethyl]morpholine-4-carboxamide
SMILESCCOc1ccc2[nH+]c(NCCNC(=O)N3CCOCC3)c(C#N)cc2c1
InChIInChI=1S/C19H23N5O3/c1-2-27-16-3-4-17-14(12-16)11-15(13-20)18(23-17)21-5-6-22-19(25)24-7-9-26-10-8-24/h3-4,11-12H,2,5-10H2,1H3,(H,21,23)(H,22,25)/p+1
InChIKeyVMEJHKMBDTVTAP-UHFFFAOYSA-O
XLogP1.38
TPSA100.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 51.38
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-ethoxyquinolin-1-ium-2-yl)amino]ethyl]benzenesulfonamide
CID 7219503
N-[2-[(3-cyano-6-methoxyquinolin-1-ium-2-yl)amino]ethyl]cyclobutanecarboxamide
CID 7434779
4-(3-cyano-6-ethoxyquinolin-1-ium-2-yl)-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 7390693
N-[2-[(6-ethoxy-3-methylquinolin-1-ium-2-yl)amino]ethyl]-2-methylpropanamide
CID 7221290
N-[2-[(6-ethoxy-3-methylquinolin-1-ium-2-yl)amino]ethyl]butanamide
CID 7402595
N-[(3,4-dimethylphenoxy)methyl]morpholine-4-carboxamide
CID 108879035
N-(6-ethoxy-1,3-benzothiazol-2-yl)morpholine-4-carboxamide
CID 115581762
4-ethoxy-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 50945333
N-[2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]ethyl]morpholine-4-carboxamide
CID 155893558
N-[2-[(3-cyano-6-ethoxyquinolin-2-yl)amino]ethyl]-3,3-dimethylbutanamide
CID 44754257
4-ethoxy-N-(2-morpholin-4-yl-2-oxoethyl)benzamide
CID 27258304
5-ethoxy-1-methyl-N-(3-morpholin-4-yl-3-oxopropyl)indole-2-carboxamide
CID 46971563

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-cyano-6-ethoxyquinolin-1-ium-2-yl)amino]ethyl]morpholine-4-carboxamide?
The IUPAC name of N-[2-[(3-cyano-6-ethoxyquinolin-1-ium-2-yl)amino]ethyl]morpholine-4-carboxamide (CID 7391212) is N-[2-[(3-cyano-6-ethoxyquinolin-1-ium-2-yl)amino]ethyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[2-[(3-cyano-6-ethoxyquinolin-1-ium-2-yl)amino]ethyl]morpholine-4-carboxamide?
The canonical SMILES for N-[2-[(3-cyano-6-ethoxyquinolin-1-ium-2-yl)amino]ethyl]morpholine-4-carboxamide is CCOc1ccc2[nH+]c(NCCNC(=O)N3CCOCC3)c(C#N)cc2c1.
What is the InChIKey of N-[2-[(3-cyano-6-ethoxyquinolin-1-ium-2-yl)amino]ethyl]morpholine-4-carboxamide?
The InChIKey is VMEJHKMBDTVTAP-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H23N5O3/c1-2-27-16-3-4-17-14(12-16)11-15(13-20)18(23-17)21-5-6-22-19(25)24-7-9-26-10-8-24/h3-4,11-12H,2,5-10H2,1H3,(H,21,23)(H,22,25)/p+1.
What are the key properties of N-[2-[(3-cyano-6-ethoxyquinolin-1-ium-2-yl)amino]ethyl]morpholine-4-carboxamide?
N-[2-[(3-cyano-6-ethoxyquinolin-1-ium-2-yl)amino]ethyl]morpholine-4-carboxamide has a molecular weight of 370.43 g/mol, XLogP of 1.38, 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-ethoxyquinolin-1-ium-2-yl)amino]ethyl]morpholine-4-carboxamide is sourced from PubChem (CID 7391212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).