2-N-methyl-1-(2-methylpropyl)-2-N-prop-2-enylimidazo[4,5-c]quinoline-2,4-diamine

C18H23N5 — CID 11500546

IUPAC2-N-methyl-1-(2-methylpropyl)-2-N-prop-2-enylimidazo[4,5-c]quinoline-2,4-diamine
SMILESC=CCN(C)c1nc2c(N)nc3ccccc3c2n1CC(C)C
InChIInChI=1S/C18H23N5/c1-5-10-22(4)18-21-15-16(23(18)11-12(2)3)13-8-6-7-9-14(13)20-17(15)19/h5-9,12H,1,10-11H2,2-4H3,(H2,19,20)
InChIKeyFNJDXMQQFKYYFB-UHFFFAOYSA-N
MW309.42 g/mol
LogP3.44
Rot. Bonds5

About 2-N-methyl-1-(2-methylpropyl)-2-N-prop-2-enylimidazo[4,5-c]quinoline-2,4-diamine

2-N-methyl-1-(2-methylpropyl)-2-N-prop-2-enylimidazo[4,5-c]quinoline-2,4-diamine (PubChem CID 11500546) has the molecular formula C18H23N5 and a molecular weight of 309.42 g/mol. Its IUPAC name is 2-N-methyl-1-(2-methylpropyl)-2-N-prop-2-enylimidazo[4,5-c]quinoline-2,4-diamine.

Molecular Properties

Compound Name2-N-methyl-1-(2-methylpropyl)-2-N-prop-2-enylimidazo[4,5-c]quinoline-2,4-diamine
PubChem CID11500546
Molecular FormulaC18H23N5
Molecular Weight309.42 g/mol
Exact Mass309.20
IUPAC Name2-N-methyl-1-(2-methylpropyl)-2-N-prop-2-enylimidazo[4,5-c]quinoline-2,4-diamine
SMILESC=CCN(C)c1nc2c(N)nc3ccccc3c2n1CC(C)C
InChIInChI=1S/C18H23N5/c1-5-10-22(4)18-21-15-16(23(18)11-12(2)3)13-8-6-7-9-14(13)20-17(15)19/h5-9,12H,1,10-11H2,2-4H3,(H2,19,20)
InChIKeyFNJDXMQQFKYYFB-UHFFFAOYSA-N
XLogP3.44
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methylpropyl)-2-phenylimidazo[4,5-c]quinolin-4-amine
CID 11209291
2-N-methyl-1-(2-methylpropyl)imidazo[4,5-c]quinoline-2,4-diamine
CID 11630397
1-(2-methylpropyl)-2-propylimidazo[4,5-c]quinolin-4-amine
CID 11150246
1-(2-methylpropyl)-2-pentylimidazo[4,5-c]quinolin-4-amine
CID 11185992
2-heptyl-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine
CID 11739260
1-(2-methylpropyl)-2-(piperazin-1-ylmethyl)imidazo[4,5-c]quinolin-4-amine
CID 69318179
2-(dimethylphosphorylmethoxymethyl)-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine
CID 59796222
1-(2-methylpropyl)-2-(morpholin-4-ylmethyl)imidazo[4,5-c]quinolin-4-amine
CID 10290980
2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine
CID 67052415
potassium;2-methylpropan-2-olate;1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine
CID 158181700
15-methyl-13-(2-methylpropyl)-8,11,13,16-tetrazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,11-hexaen-9-amine
CID 24852290
2-ethyl-1-propylimidazo[4,5-c]quinolin-4-amine
CID 143008317

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-1-(2-methylpropyl)-2-N-prop-2-enylimidazo[4,5-c]quinoline-2,4-diamine?
The IUPAC name of 2-N-methyl-1-(2-methylpropyl)-2-N-prop-2-enylimidazo[4,5-c]quinoline-2,4-diamine (CID 11500546) is 2-N-methyl-1-(2-methylpropyl)-2-N-prop-2-enylimidazo[4,5-c]quinoline-2,4-diamine.
What is the SMILES notation for 2-N-methyl-1-(2-methylpropyl)-2-N-prop-2-enylimidazo[4,5-c]quinoline-2,4-diamine?
The canonical SMILES for 2-N-methyl-1-(2-methylpropyl)-2-N-prop-2-enylimidazo[4,5-c]quinoline-2,4-diamine is C=CCN(C)c1nc2c(N)nc3ccccc3c2n1CC(C)C.
What is the InChIKey of 2-N-methyl-1-(2-methylpropyl)-2-N-prop-2-enylimidazo[4,5-c]quinoline-2,4-diamine?
The InChIKey is FNJDXMQQFKYYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5/c1-5-10-22(4)18-21-15-16(23(18)11-12(2)3)13-8-6-7-9-14(13)20-17(15)19/h5-9,12H,1,10-11H2,2-4H3,(H2,19,20).
What are the key properties of 2-N-methyl-1-(2-methylpropyl)-2-N-prop-2-enylimidazo[4,5-c]quinoline-2,4-diamine?
2-N-methyl-1-(2-methylpropyl)-2-N-prop-2-enylimidazo[4,5-c]quinoline-2,4-diamine has a molecular weight of 309.42 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-1-(2-methylpropyl)-2-N-prop-2-enylimidazo[4,5-c]quinoline-2,4-diamine is sourced from PubChem (CID 11500546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).