2-amino-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]propanamide

C18H26N4O2 — CID 14370815

IUPAC2-amino-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]propanamide
SMILESCOc1cc(NC(C)CCCNC(=O)C(C)N)c2ncccc2c1
InChIInChI=1S/C18H26N4O2/c1-12(6-4-9-21-18(23)13(2)19)22-16-11-15(24-3)10-14-7-5-8-20-17(14)16/h5,7-8,10-13,22H,4,6,9,19H2,1-3H3,(H,21,23)
InChIKeyHLJIULCLSPLKGI-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.29
Rot. Bonds8

About 2-amino-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]propanamide

2-amino-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]propanamide (PubChem CID 14370815) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 2-amino-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]propanamide.

Molecular Properties

Compound Name2-amino-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]propanamide
PubChem CID14370815
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name2-amino-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]propanamide
SMILESCOc1cc(NC(C)CCCNC(=O)C(C)N)c2ncccc2c1
InChIInChI=1S/C18H26N4O2/c1-12(6-4-9-21-18(23)13(2)19)22-16-11-15(24-3)10-14-7-5-8-20-17(14)16/h5,7-8,10-13,22H,4,6,9,19H2,1-3H3,(H,21,23)
InChIKeyHLJIULCLSPLKGI-UHFFFAOYSA-N
XLogP2.29
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis[4-[(6-methoxyquinolin-8-yl)amino]pentyl]oxamide;dihydrochloride
CID 90664753
(2R)-2-amino-5-[4-[(6-methoxyquinolin-8-yl)amino]pentylcarbamoylamino]pentanoic acid
CID 70681420
N'-hydroxy-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]butanediamide
CID 171352046
3-N,5-N-bis[4-[(6-methoxyquinolin-8-yl)amino]pentyl]pyridine-3,5-dicarboxamide;hydrochloride
CID 53324732
(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]hexanamide
CID 10100694
(2S)-2-[[(2S)-2,5-diaminopentanoyl]amino]-5-[4-[(6-methoxyquinolin-8-yl)amino]pentylamino]-5-oxopentanoic acid
CID 70687680
(2R)-3-amino-2-[[cyclopenta-2,4-dien-1-ylidene(hydroxy)methyl]amino]-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]propanamide
CID 71593216
N-heptan-2-yl-6-methoxyquinolin-8-amine
CID 70828579
1-N,1-N-diethyl-4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine;urea
CID 21115016
1-[bis(4-methoxyphenyl)methylideneamino]-3-[4-[(6-methoxyquinolin-8-yl)amino]pentylcarbamoylamino]urea
CID 118713297
1-(3-hydroxyphenyl)-3-[4-[(6-methoxyquinolin-8-yl)amino]pentylcarbamoylamino]urea
CID 134131561
1-[(1S,3R)-3-hydroxycyclopentyl]-3-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]urea
CID 135122058

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]propanamide?
The IUPAC name of 2-amino-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]propanamide (CID 14370815) is 2-amino-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]propanamide.
What is the SMILES notation for 2-amino-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]propanamide?
The canonical SMILES for 2-amino-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]propanamide is COc1cc(NC(C)CCCNC(=O)C(C)N)c2ncccc2c1.
What is the InChIKey of 2-amino-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]propanamide?
The InChIKey is HLJIULCLSPLKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-12(6-4-9-21-18(23)13(2)19)22-16-11-15(24-3)10-14-7-5-8-20-17(14)16/h5,7-8,10-13,22H,4,6,9,19H2,1-3H3,(H,21,23).
What are the key properties of 2-amino-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]propanamide?
2-amino-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]propanamide has a molecular weight of 330.43 g/mol, XLogP of 2.29, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]propanamide is sourced from PubChem (CID 14370815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).