3-(4-amino-7,8-dichloro-3H-imidazo[4,5-c]quinolin-2-yl)propan-1-ol

C13H12Cl2N4O — CID 138607476

IUPAC3-(4-amino-7,8-dichloro-3H-imidazo[4,5-c]quinolin-2-yl)propan-1-ol
SMILESNc1nc2cc(Cl)c(Cl)cc2c2nc(CCCO)[nH]c12
InChIInChI=1S/C13H12Cl2N4O/c14-7-4-6-9(5-8(7)15)17-13(16)12-11(6)18-10(19-12)2-1-3-20/h4-5,20H,1-3H2,(H2,16,17)(H,18,19)
InChIKeyLXHMGIXOIPHDJL-UHFFFAOYSA-N
MW311.17 g/mol
LogP2.92
Rot. Bonds3

About 3-(4-amino-7,8-dichloro-3H-imidazo[4,5-c]quinolin-2-yl)propan-1-ol

3-(4-amino-7,8-dichloro-3H-imidazo[4,5-c]quinolin-2-yl)propan-1-ol (PubChem CID 138607476) has the molecular formula C13H12Cl2N4O and a molecular weight of 311.17 g/mol. Its IUPAC name is 3-(4-amino-7,8-dichloro-3H-imidazo[4,5-c]quinolin-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-(4-amino-7,8-dichloro-3H-imidazo[4,5-c]quinolin-2-yl)propan-1-ol
PubChem CID138607476
Molecular FormulaC13H12Cl2N4O
Molecular Weight311.17 g/mol
Exact Mass310.04
IUPAC Name3-(4-amino-7,8-dichloro-3H-imidazo[4,5-c]quinolin-2-yl)propan-1-ol
SMILESNc1nc2cc(Cl)c(Cl)cc2c2nc(CCCO)[nH]c12
InChIInChI=1S/C13H12Cl2N4O/c14-7-4-6-9(5-8(7)15)17-13(16)12-11(6)18-10(19-12)2-1-3-20/h4-5,20H,1-3H2,(H2,16,17)(H,18,19)
InChIKeyLXHMGIXOIPHDJL-UHFFFAOYSA-N
XLogP2.92
TPSA87.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.17
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-amino-8-fluoro-7-methyl-3H-imidazo[4,5-c]quinolin-2-yl)propan-1-ol
CID 138607534
3-[4-amino-7-(trifluoromethyl)-3H-imidazo[4,5-c]quinolin-2-yl]propan-1-ol
CID 138607527
3-[4-amino-7-(3-fluorophenyl)-3H-imidazo[4,5-c]quinolin-2-yl]propan-1-ol
CID 138584372
3-[4-amino-2-(3-hydroxypropyl)-3H-imidazo[4,5-c]quinolin-7-yl]phenol
CID 138607621
3-[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]propan-1-ol
CID 138584377
3-(4-amino-7-cyclohexyl-3H-imidazo[4,5-c]quinolin-2-yl)propan-1-ol
CID 138584388
3-[4-amino-7-(6-methoxy-2-pyridinyl)-3H-imidazo[4,5-c]quinolin-2-yl]propan-1-ol
CID 138607513
2-butyl-7-propan-2-yl-3H-imidazo[4,5-c]quinolin-4-amine
CID 158069633
7-[(4-aminophenyl)methyl]-2-butyl-3H-imidazo[4,5-c]quinolin-4-amine
CID 164926397
3-(4,6-difluoro-1H-benzimidazol-2-yl)propan-1-ol
CID 81463474
3-(6-amino-1H-benzimidazol-2-yl)propan-1-ol
CID 3096134
5-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-8-yl)pentyl-dimethyl-[2-(3-methylsulfanyl-3-oxopropoxy)ethyl]azanium
CID 164970618

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-7,8-dichloro-3H-imidazo[4,5-c]quinolin-2-yl)propan-1-ol?
The IUPAC name of 3-(4-amino-7,8-dichloro-3H-imidazo[4,5-c]quinolin-2-yl)propan-1-ol (CID 138607476) is 3-(4-amino-7,8-dichloro-3H-imidazo[4,5-c]quinolin-2-yl)propan-1-ol.
What is the SMILES notation for 3-(4-amino-7,8-dichloro-3H-imidazo[4,5-c]quinolin-2-yl)propan-1-ol?
The canonical SMILES for 3-(4-amino-7,8-dichloro-3H-imidazo[4,5-c]quinolin-2-yl)propan-1-ol is Nc1nc2cc(Cl)c(Cl)cc2c2nc(CCCO)[nH]c12.
What is the InChIKey of 3-(4-amino-7,8-dichloro-3H-imidazo[4,5-c]quinolin-2-yl)propan-1-ol?
The InChIKey is LXHMGIXOIPHDJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N4O/c14-7-4-6-9(5-8(7)15)17-13(16)12-11(6)18-10(19-12)2-1-3-20/h4-5,20H,1-3H2,(H2,16,17)(H,18,19).
What are the key properties of 3-(4-amino-7,8-dichloro-3H-imidazo[4,5-c]quinolin-2-yl)propan-1-ol?
3-(4-amino-7,8-dichloro-3H-imidazo[4,5-c]quinolin-2-yl)propan-1-ol has a molecular weight of 311.17 g/mol, XLogP of 2.92, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-7,8-dichloro-3H-imidazo[4,5-c]quinolin-2-yl)propan-1-ol is sourced from PubChem (CID 138607476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).