N-[(6-methoxyquinolin-4-yl)methyl]azepan-4-amine;propylbenzene

C26H35N3O — CID 142884526

IUPACN-[(6-methoxyquinolin-4-yl)methyl]azepan-4-amine;propylbenzene
SMILESCCCc1ccccc1.COc1ccc2nccc(CNC3CCCNCC3)c2c1
InChIInChI=1S/C17H23N3O.C9H12/c1-21-15-4-5-17-16(11-15)13(6-10-19-17)12-20-14-3-2-8-18-9-7-14;1-2-6-9-7-4-3-5-8-9/h4-6,10-11,14,18,20H,2-3,7-9,12H2,1H3;3-5,7-8H,2,6H2,1H3
InChIKeyWFXCKWKEAOOZOY-UHFFFAOYSA-N
MW405.59 g/mol
LogP5.11
Rot. Bonds6

About N-[(6-methoxyquinolin-4-yl)methyl]azepan-4-amine;propylbenzene

N-[(6-methoxyquinolin-4-yl)methyl]azepan-4-amine;propylbenzene (PubChem CID 142884526) has the molecular formula C26H35N3O and a molecular weight of 405.59 g/mol. Its IUPAC name is N-[(6-methoxyquinolin-4-yl)methyl]azepan-4-amine;propylbenzene.

Molecular Properties

Compound NameN-[(6-methoxyquinolin-4-yl)methyl]azepan-4-amine;propylbenzene
PubChem CID142884526
Molecular FormulaC26H35N3O
Molecular Weight405.59 g/mol
Exact Mass405.28
IUPAC NameN-[(6-methoxyquinolin-4-yl)methyl]azepan-4-amine;propylbenzene
SMILESCCCc1ccccc1.COc1ccc2nccc(CNC3CCCNCC3)c2c1
InChIInChI=1S/C17H23N3O.C9H12/c1-21-15-4-5-17-16(11-15)13(6-10-19-17)12-20-14-3-2-8-18-9-7-14;1-2-6-9-7-4-3-5-8-9/h4-6,10-11,14,18,20H,2-3,7-9,12H2,1H3;3-5,7-8H,2,6H2,1H3
InChIKeyWFXCKWKEAOOZOY-UHFFFAOYSA-N
XLogP5.11
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.59
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(6-methoxyquinolin-4-yl)methyl]azepan-4-amine;propylbenzene with MolForge

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Related Compounds

ethane;(Z,4Z)-4-ethylidenehept-5-enal;N-[(6-methoxyquinolin-4-yl)methyl]azocan-5-amine
CID 142884541
6-methoxy-4-(3-piperidin-3-ylpropyl)quinoline
CID 12799878
4-[(2-chloroquinolin-3-yl)methylamino]-1-[2-(6-methoxyquinolin-4-yl)ethyl]cyclohexan-1-ol
CID 21104621
N-[(2-methoxy-4-pyridinyl)methyl]azepan-4-amine
CID 113361573
N-[(6-methoxy-2-propan-2-ylquinolin-4-yl)methyl]cyclopentanamine
CID 82449789
N-(quinolin-4-ylmethyl)cyclohexanamine
CID 62337129
N-[(4-fluorophenyl)methyl]-2-[2-(6-methoxyquinolin-4-yl)ethyl]-1,3-dioxan-5-amine
CID 146503197
2-[(3R,4R)-4-[3-(6-methoxyquinolin-4-yl)propyl]-3-(3-phenylpropyl)piperidin-3-yl]acetonitrile
CID 70098617
N-[(6-bromoquinolin-4-yl)methyl]cyclobutanamine
CID 178046560
3-[4-[3-(6-methoxyquinolin-4-yl)propyl]phenyl]prop-2-ynyl (3R)-piperidine-3-carboxylate
CID 70102404
N-[(4-methoxyphenyl)methyl]piperidin-4-amine;dihydrochloride
CID 53255554
(2S,4S,5R)-5-ethyl-N-[(6-methoxyquinolin-4-yl)methyl]-1-azabicyclo[2.2.2]octan-2-amine
CID 171780647

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxyquinolin-4-yl)methyl]azepan-4-amine;propylbenzene?
The IUPAC name of N-[(6-methoxyquinolin-4-yl)methyl]azepan-4-amine;propylbenzene (CID 142884526) is N-[(6-methoxyquinolin-4-yl)methyl]azepan-4-amine;propylbenzene.
What is the SMILES notation for N-[(6-methoxyquinolin-4-yl)methyl]azepan-4-amine;propylbenzene?
The canonical SMILES for N-[(6-methoxyquinolin-4-yl)methyl]azepan-4-amine;propylbenzene is CCCc1ccccc1.COc1ccc2nccc(CNC3CCCNCC3)c2c1.
What is the InChIKey of N-[(6-methoxyquinolin-4-yl)methyl]azepan-4-amine;propylbenzene?
The InChIKey is WFXCKWKEAOOZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O.C9H12/c1-21-15-4-5-17-16(11-15)13(6-10-19-17)12-20-14-3-2-8-18-9-7-14;1-2-6-9-7-4-3-5-8-9/h4-6,10-11,14,18,20H,2-3,7-9,12H2,1H3;3-5,7-8H,2,6H2,1H3.
What are the key properties of N-[(6-methoxyquinolin-4-yl)methyl]azepan-4-amine;propylbenzene?
N-[(6-methoxyquinolin-4-yl)methyl]azepan-4-amine;propylbenzene has a molecular weight of 405.59 g/mol, XLogP of 5.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxyquinolin-4-yl)methyl]azepan-4-amine;propylbenzene is sourced from PubChem (CID 142884526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).