N-(3,3-dimethyl-1H-furo[3,4-b]quinolin-9-yl)-N',N'-dimethylpropane-1,3-diamine

C18H25N3O — CID 12593747

IUPACN-(3,3-dimethyl-1H-furo[3,4-b]quinolin-9-yl)-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCCNc1c2c(nc3ccccc13)C(C)(C)OC2
InChIInChI=1S/C18H25N3O/c1-18(2)17-14(12-22-18)16(19-10-7-11-21(3)4)13-8-5-6-9-15(13)20-17/h5-6,8-9H,7,10-12H2,1-4H3,(H,19,20)
InChIKeyVGLOGINYHZIVPC-UHFFFAOYSA-N
MW299.42 g/mol
LogP3.36
Rot. Bonds5

About N-(3,3-dimethyl-1H-furo[3,4-b]quinolin-9-yl)-N',N'-dimethylpropane-1,3-diamine

N-(3,3-dimethyl-1H-furo[3,4-b]quinolin-9-yl)-N',N'-dimethylpropane-1,3-diamine (PubChem CID 12593747) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is N-(3,3-dimethyl-1H-furo[3,4-b]quinolin-9-yl)-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(3,3-dimethyl-1H-furo[3,4-b]quinolin-9-yl)-N',N'-dimethylpropane-1,3-diamine
PubChem CID12593747
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC NameN-(3,3-dimethyl-1H-furo[3,4-b]quinolin-9-yl)-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCCNc1c2c(nc3ccccc13)C(C)(C)OC2
InChIInChI=1S/C18H25N3O/c1-18(2)17-14(12-22-18)16(19-10-7-11-21(3)4)13-8-5-6-9-15(13)20-17/h5-6,8-9H,7,10-12H2,1-4H3,(H,19,20)
InChIKeyVGLOGINYHZIVPC-UHFFFAOYSA-N
XLogP3.36
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(3,3-dimethyl-1H-furo[3,4-b]quinolin-9-yl)-N',N'-dimethylpropane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N',N'-dimethyl-N-(7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-yl)propane-1,3-diamine
CID 29298
1-N,2-N-bis[3-(dimethylamino)propyl]acridine-1,2-diamine
CID 90717674
N',N'-dimethyl-N-(1-nitroacridin-9-yl)propane-1,3-diamine;hydrochloride
CID 54607240
N-(1-ethyl-3-methylpyrazolo[3,4-b]quinolin-4-yl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride
CID 90678504
9-[3-(dimethylamino)propylamino]-N-hydroxy-4-methylacridin-1-amine oxide;hydrochloride
CID 21122674
N-(1,3-dimethylpyrazolo[3,4-b]quinolin-4-yl)-N',N'-dimethylbutane-1,4-diamine;hydrochloride
CID 90678432
N,N'-di(acridin-9-yl)hexadecane-1,16-diamine;dihydrochloride
CID 131881606
N',N'-dimethyl-N-[2-(1H-pyrrol-3-yl)quinazolin-4-yl]propane-1,3-diamine
CID 156820936
N-(1,3-benzoxazol-2-yl)-N',N'-dimethylpropane-1,3-diamine
CID 60980989
N-acridin-9-yl-N'-(cyclopropylmethyl)-N'-methylbutane-1,4-diamine
CID 71471830
N-(3-aminopropyl)-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]acetamide
CID 10959176
9-[2-(dimethylamino)ethylamino]-1,2,3,4-tetrahydroacridin-1-ol
CID 3025609

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethyl-1H-furo[3,4-b]quinolin-9-yl)-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-(3,3-dimethyl-1H-furo[3,4-b]quinolin-9-yl)-N',N'-dimethylpropane-1,3-diamine (CID 12593747) is N-(3,3-dimethyl-1H-furo[3,4-b]quinolin-9-yl)-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-(3,3-dimethyl-1H-furo[3,4-b]quinolin-9-yl)-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-(3,3-dimethyl-1H-furo[3,4-b]quinolin-9-yl)-N',N'-dimethylpropane-1,3-diamine is CN(C)CCCNc1c2c(nc3ccccc13)C(C)(C)OC2.
What is the InChIKey of N-(3,3-dimethyl-1H-furo[3,4-b]quinolin-9-yl)-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is VGLOGINYHZIVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-18(2)17-14(12-22-18)16(19-10-7-11-21(3)4)13-8-5-6-9-15(13)20-17/h5-6,8-9H,7,10-12H2,1-4H3,(H,19,20).
What are the key properties of N-(3,3-dimethyl-1H-furo[3,4-b]quinolin-9-yl)-N',N'-dimethylpropane-1,3-diamine?
N-(3,3-dimethyl-1H-furo[3,4-b]quinolin-9-yl)-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 299.42 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethyl-1H-furo[3,4-b]quinolin-9-yl)-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 12593747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).