N-(1,3-benzodioxol-5-yl)-7-methyl-6H-imidazo[4,5-f]quinolin-9-amine

C18H14N4O2 — CID 135818945

IUPACN-(1,3-benzodioxol-5-yl)-7-methyl-6H-imidazo[4,5-f]quinolin-9-amine
SMILESCc1cc(Nc2ccc3c(c2)OCO3)c2c(ccc3ncnc32)[nH]1
InChIInChI=1S/C18H14N4O2/c1-10-6-14(22-11-2-5-15-16(7-11)24-9-23-15)17-12(21-10)3-4-13-18(17)20-8-19-13/h2-8,21-22H,9H2,1H3
InChIKeyGGVIRHKLWVMKMA-UHFFFAOYSA-N
MW318.34 g/mol
LogP3.89
Rot. Bonds2

About N-(1,3-benzodioxol-5-yl)-7-methyl-6H-imidazo[4,5-f]quinolin-9-amine

N-(1,3-benzodioxol-5-yl)-7-methyl-6H-imidazo[4,5-f]quinolin-9-amine (PubChem CID 135818945) has the molecular formula C18H14N4O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-7-methyl-6H-imidazo[4,5-f]quinolin-9-amine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-7-methyl-6H-imidazo[4,5-f]quinolin-9-amine
PubChem CID135818945
Molecular FormulaC18H14N4O2
Molecular Weight318.34 g/mol
Exact Mass318.11
IUPAC NameN-(1,3-benzodioxol-5-yl)-7-methyl-6H-imidazo[4,5-f]quinolin-9-amine
SMILESCc1cc(Nc2ccc3c(c2)OCO3)c2c(ccc3ncnc32)[nH]1
InChIInChI=1S/C18H14N4O2/c1-10-6-14(22-11-2-5-15-16(7-11)24-9-23-15)17-12(21-10)3-4-13-18(17)20-8-19-13/h2-8,21-22H,9H2,1H3
InChIKeyGGVIRHKLWVMKMA-UHFFFAOYSA-N
XLogP3.89
TPSA72.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

bis(7-methyl-N-(4-propan-2-ylphenyl)-6H-imidazo[4,5-f]quinolin-9-amine);hydrate;dihydrochloride
CID 137220071
N-(4-butoxyphenyl)-7-methyl-6H-imidazo[4,5-f]quinolin-9-amine;hydrochloride
CID 135818950
3-N-(7-methyl-6H-imidazo[4,5-f]quinolin-9-yl)-1-N-(6-piperidin-1-yl-3-pyridinyl)benzene-1,3-diamine
CID 136502435
N-(4-methoxyphenyl)-7-phenyl-6H-imidazo[4,5-f]quinolin-9-amine
CID 135736219
4-N,6-N-bis(1,3-benzodioxol-5-yl)pyrimidine-4,5,6-triamine
CID 22542016
N-(1,3-benzodioxol-5-yl)-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indol-4-amine
CID 58064806
ethyl 9-(1,3-benzodioxol-5-ylamino)-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate
CID 71529626
N-(1,3-benzodioxol-5-yl)-6-chloropyrimidin-4-amine
CID 60727029
4-N-(1,3-benzodioxol-5-yl)-6-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine
CID 112865548
6-N-(1,3-benzodioxol-5-yl)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,5,6-triamine
CID 22541790
6-N-(1,3-benzodioxol-5-yl)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5,6-triamine
CID 22540413
1-N-(1,3-benzodioxol-5-yl)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 82536487

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-7-methyl-6H-imidazo[4,5-f]quinolin-9-amine?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-7-methyl-6H-imidazo[4,5-f]quinolin-9-amine (CID 135818945) is N-(1,3-benzodioxol-5-yl)-7-methyl-6H-imidazo[4,5-f]quinolin-9-amine.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-7-methyl-6H-imidazo[4,5-f]quinolin-9-amine?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-7-methyl-6H-imidazo[4,5-f]quinolin-9-amine is Cc1cc(Nc2ccc3c(c2)OCO3)c2c(ccc3ncnc32)[nH]1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-7-methyl-6H-imidazo[4,5-f]quinolin-9-amine?
The InChIKey is GGVIRHKLWVMKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2/c1-10-6-14(22-11-2-5-15-16(7-11)24-9-23-15)17-12(21-10)3-4-13-18(17)20-8-19-13/h2-8,21-22H,9H2,1H3.
What are the key properties of N-(1,3-benzodioxol-5-yl)-7-methyl-6H-imidazo[4,5-f]quinolin-9-amine?
N-(1,3-benzodioxol-5-yl)-7-methyl-6H-imidazo[4,5-f]quinolin-9-amine has a molecular weight of 318.34 g/mol, XLogP of 3.89, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-7-methyl-6H-imidazo[4,5-f]quinolin-9-amine is sourced from PubChem (CID 135818945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).