N-(1-aminoethylidene)-2-(2-methoxypentylamino)-6-methylquinoline-3-carboxamide

C19H26N4O2 — CID 123145374

IUPACN-(1-aminoethylidene)-2-(2-methoxypentylamino)-6-methylquinoline-3-carboxamide
SMILESCCCC(CNc1nc2ccc(C)cc2cc1C(=O)/N=C(\C)N)OC
InChIInChI=1S/C19H26N4O2/c1-5-6-15(25-4)11-21-18-16(19(24)22-13(3)20)10-14-9-12(2)7-8-17(14)23-18/h7-10,15H,5-6,11H2,1-4H3,(H,21,23)(H2,20,22,24)
InChIKeyHMSAASPMBPYJQK-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.29
Rot. Bonds7

About N-(1-aminoethylidene)-2-(2-methoxypentylamino)-6-methylquinoline-3-carboxamide

N-(1-aminoethylidene)-2-(2-methoxypentylamino)-6-methylquinoline-3-carboxamide (PubChem CID 123145374) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-(1-aminoethylidene)-2-(2-methoxypentylamino)-6-methylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(1-aminoethylidene)-2-(2-methoxypentylamino)-6-methylquinoline-3-carboxamide
PubChem CID123145374
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-(1-aminoethylidene)-2-(2-methoxypentylamino)-6-methylquinoline-3-carboxamide
SMILESCCCC(CNc1nc2ccc(C)cc2cc1C(=O)/N=C(\C)N)OC
InChIInChI=1S/C19H26N4O2/c1-5-6-15(25-4)11-21-18-16(19(24)22-13(3)20)10-14-9-12(2)7-8-17(14)23-18/h7-10,15H,5-6,11H2,1-4H3,(H,21,23)(H2,20,22,24)
InChIKeyHMSAASPMBPYJQK-UHFFFAOYSA-N
XLogP3.29
TPSA89.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[amino-[6-methyl-2-[3-(3-methylbutan-2-ylamino)pentylamino]quinolin-3-yl]methylidene]acetamide
CID 123814875
1-[2-[[(2S)-3-(cyclohexylamino)-2-methoxypentyl]amino]-6-methylquinolin-3-yl]ethanone
CID 139324725
ethyl 2-[[3-(cyclohexylamino)-2-methoxypentyl]amino]-6-methylquinoline-3-carboxylate
CID 123210006
2-[[3-(cyclohexylamino)-2-methoxypentyl]amino]-N,N,6-trimethylquinoline-3-carboxamide
CID 123680254
N-(1-aminoethylidene)-2-[4-[[(1S,2S)-2-hydroxycyclopentyl]amino]piperidin-1-yl]-6-methylquinoline-3-carboxamide
CID 118264143
N-(1-aminoethyl)-2-[3-(2-hydroxypropylamino)pentylamino]-6-methylquinoline-3-carboxamide
CID 123214150
methyl (2R)-2-[(2,6-dimethylquinoline-3-carbonyl)amino]-2-methylpentanoate
CID 51935103
N-tert-butyl-2,6-dimethylquinoline-3-carboxamide
CID 47130649
1-(2-fluoro-5-methylphenyl)-2-methoxypentan-1-one
CID 116708023
N-[2-[(3,6-dimethylquinolin-2-yl)amino]ethyl]-2-methoxyacetamide
CID 647352
1-(2,4-dimethylphenyl)-2-methoxypentan-1-one
CID 116708065
2-methoxy-1-(2-methoxy-5-methylphenyl)pentan-1-one
CID 116708118

Frequently Asked Questions

What is the IUPAC name of N-(1-aminoethylidene)-2-(2-methoxypentylamino)-6-methylquinoline-3-carboxamide?
The IUPAC name of N-(1-aminoethylidene)-2-(2-methoxypentylamino)-6-methylquinoline-3-carboxamide (CID 123145374) is N-(1-aminoethylidene)-2-(2-methoxypentylamino)-6-methylquinoline-3-carboxamide.
What is the SMILES notation for N-(1-aminoethylidene)-2-(2-methoxypentylamino)-6-methylquinoline-3-carboxamide?
The canonical SMILES for N-(1-aminoethylidene)-2-(2-methoxypentylamino)-6-methylquinoline-3-carboxamide is CCCC(CNc1nc2ccc(C)cc2cc1C(=O)/N=C(\C)N)OC.
What is the InChIKey of N-(1-aminoethylidene)-2-(2-methoxypentylamino)-6-methylquinoline-3-carboxamide?
The InChIKey is HMSAASPMBPYJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-5-6-15(25-4)11-21-18-16(19(24)22-13(3)20)10-14-9-12(2)7-8-17(14)23-18/h7-10,15H,5-6,11H2,1-4H3,(H,21,23)(H2,20,22,24).
What are the key properties of N-(1-aminoethylidene)-2-(2-methoxypentylamino)-6-methylquinoline-3-carboxamide?
N-(1-aminoethylidene)-2-(2-methoxypentylamino)-6-methylquinoline-3-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminoethylidene)-2-(2-methoxypentylamino)-6-methylquinoline-3-carboxamide is sourced from PubChem (CID 123145374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).