7-bromo-1-N-propan-2-yl-2-propylimidazo[4,5-c]quinoline-1,4-diamine

C16H20BrN5 — CID 69177518

IUPAC7-bromo-1-N-propan-2-yl-2-propylimidazo[4,5-c]quinoline-1,4-diamine
SMILESCCCc1nc2c(N)nc3cc(Br)ccc3c2n1NC(C)C
InChIInChI=1S/C16H20BrN5/c1-4-5-13-20-14-15(22(13)21-9(2)3)11-7-6-10(17)8-12(11)19-16(14)18/h6-9,21H,4-5H2,1-3H3,(H2,18,19)
InChIKeyPVBAKMOLJWPRED-UHFFFAOYSA-N
MW362.28 g/mol
LogP3.83
Rot. Bonds4

About 7-bromo-1-N-propan-2-yl-2-propylimidazo[4,5-c]quinoline-1,4-diamine

7-bromo-1-N-propan-2-yl-2-propylimidazo[4,5-c]quinoline-1,4-diamine (PubChem CID 69177518) has the molecular formula C16H20BrN5 and a molecular weight of 362.28 g/mol. Its IUPAC name is 7-bromo-1-N-propan-2-yl-2-propylimidazo[4,5-c]quinoline-1,4-diamine.

Molecular Properties

Compound Name7-bromo-1-N-propan-2-yl-2-propylimidazo[4,5-c]quinoline-1,4-diamine
PubChem CID69177518
Molecular FormulaC16H20BrN5
Molecular Weight362.28 g/mol
Exact Mass361.09
IUPAC Name7-bromo-1-N-propan-2-yl-2-propylimidazo[4,5-c]quinoline-1,4-diamine
SMILESCCCc1nc2c(N)nc3cc(Br)ccc3c2n1NC(C)C
InChIInChI=1S/C16H20BrN5/c1-4-5-13-20-14-15(22(13)21-9(2)3)11-7-6-10(17)8-12(11)19-16(14)18/h6-9,21H,4-5H2,1-3H3,(H2,18,19)
InChIKeyPVBAKMOLJWPRED-UHFFFAOYSA-N
XLogP3.83
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.28
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[4-amino-1-(propan-2-ylamino)-2-propylimidazo[4,5-c]quinolin-7-yl]phenyl]methanesulfonamide
CID 11655371
O-[3-(4-amino-7-bromo-2-propylimidazo[4,5-c]quinolin-1-yl)propyl]hydroxylamine
CID 68539386
N-[4-(4-amino-7-bromo-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]-N-methoxyacetamide
CID 87867662
1-(2-methylpropyl)-2-propylimidazo[4,5-c]quinolin-4-amine
CID 11150246
1-(4-amino-7-bromo-2-pentan-2-ylimidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol
CID 175941278
[4-amino-7-bromo-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]methyl N-ethylcarbamate
CID 176885321
7-(3-aminopropoxy)-1-(2-methylpropyl)-2-propylimidazo[4,5-c]quinolin-4-amine
CID 58833712
7-[(3,4-dichlorophenyl)methoxy]-1-(2-methylpropyl)-2-propylimidazo[4,5-c]quinolin-4-amine
CID 11351558
4-[4-amino-7-bromo-2-[[ethyl(methyl)amino]methyl]imidazo[4,5-c]quinolin-1-yl]-N,N-dimethylbutanamide
CID 146561403
1-(2-methylpropyl)-2-propyl-7-[[4-(trifluoromethyl)phenyl]methoxy]imidazo[4,5-c]quinolin-4-amine
CID 11340046
1-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butan-2-ol
CID 143198142
tert-butyl N-[(4-amino-7-bromo-1-ethylimidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylcarbamate
CID 137498142

Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-N-propan-2-yl-2-propylimidazo[4,5-c]quinoline-1,4-diamine?
The IUPAC name of 7-bromo-1-N-propan-2-yl-2-propylimidazo[4,5-c]quinoline-1,4-diamine (CID 69177518) is 7-bromo-1-N-propan-2-yl-2-propylimidazo[4,5-c]quinoline-1,4-diamine.
What is the SMILES notation for 7-bromo-1-N-propan-2-yl-2-propylimidazo[4,5-c]quinoline-1,4-diamine?
The canonical SMILES for 7-bromo-1-N-propan-2-yl-2-propylimidazo[4,5-c]quinoline-1,4-diamine is CCCc1nc2c(N)nc3cc(Br)ccc3c2n1NC(C)C.
What is the InChIKey of 7-bromo-1-N-propan-2-yl-2-propylimidazo[4,5-c]quinoline-1,4-diamine?
The InChIKey is PVBAKMOLJWPRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN5/c1-4-5-13-20-14-15(22(13)21-9(2)3)11-7-6-10(17)8-12(11)19-16(14)18/h6-9,21H,4-5H2,1-3H3,(H2,18,19).
What are the key properties of 7-bromo-1-N-propan-2-yl-2-propylimidazo[4,5-c]quinoline-1,4-diamine?
7-bromo-1-N-propan-2-yl-2-propylimidazo[4,5-c]quinoline-1,4-diamine has a molecular weight of 362.28 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1-N-propan-2-yl-2-propylimidazo[4,5-c]quinoline-1,4-diamine is sourced from PubChem (CID 69177518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).