ethane;methoxymethylbenzene;2-(2-propylimidazo[4,5-c]quinolin-1-yl)ethoxyphosphane

C25H34N3O2P — CID 90820432

IUPACethane;methoxymethylbenzene;2-(2-propylimidazo[4,5-c]quinolin-1-yl)ethoxyphosphane
SMILESCC.CCCc1nc2cnc3ccccc3c2n1CCOP.COCc1ccccc1
InChIInChI=1S/C15H18N3OP.C8H10O.C2H6/c1-2-5-14-17-13-10-16-12-7-4-3-6-11(12)15(13)18(14)8-9-19-20;1-9-7-8-5-3-2-4-6-8;1-2/h3-4,6-7,10H,2,5,8-9,20H2,1H3;2-6H,7H2,1H3;1-2H3
InChIKeyDPQJDYCZXUYXHE-UHFFFAOYSA-N
MW439.54 g/mol
LogP6.20
Rot. Bonds7

About ethane;methoxymethylbenzene;2-(2-propylimidazo[4,5-c]quinolin-1-yl)ethoxyphosphane

ethane;methoxymethylbenzene;2-(2-propylimidazo[4,5-c]quinolin-1-yl)ethoxyphosphane (PubChem CID 90820432) has the molecular formula C25H34N3O2P and a molecular weight of 439.54 g/mol. Its IUPAC name is ethane;methoxymethylbenzene;2-(2-propylimidazo[4,5-c]quinolin-1-yl)ethoxyphosphane.

Molecular Properties

Compound Nameethane;methoxymethylbenzene;2-(2-propylimidazo[4,5-c]quinolin-1-yl)ethoxyphosphane
PubChem CID90820432
Molecular FormulaC25H34N3O2P
Molecular Weight439.54 g/mol
Exact Mass439.24
IUPAC Nameethane;methoxymethylbenzene;2-(2-propylimidazo[4,5-c]quinolin-1-yl)ethoxyphosphane
SMILESCC.CCCc1nc2cnc3ccccc3c2n1CCOP.COCc1ccccc1
InChIInChI=1S/C15H18N3OP.C8H10O.C2H6/c1-2-5-14-17-13-10-16-12-7-4-3-6-11(12)15(13)18(14)8-9-19-20;1-9-7-8-5-3-2-4-6-8;1-2/h3-4,6-7,10H,2,5,8-9,20H2,1H3;2-6H,7H2,1H3;1-2H3
InChIKeyDPQJDYCZXUYXHE-UHFFFAOYSA-N
XLogP6.20
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.54
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-butyl-1-(2-phenylmethoxyethyl)imidazo[4,5-c]quinoline
CID 22254436
2-(2-methoxyethyl)-1-[2-(3-phenylpropoxy)ethyl]imidazo[4,5-c]quinoline
CID 22254480
2-(2-methoxyethyl)-1-[2-(3-phenylprop-2-ynoxy)ethyl]imidazo[4,5-c]quinoline
CID 22254453
ethyl 6-(2-propylimidazo[4,5-c]quinolin-1-yl)hexanoate
CID 57447018
4-(2-butylimidazo[4,5-c]quinolin-1-yl)butan-1-amine
CID 141029789
3-[2-(propoxymethyl)imidazo[4,5-c]quinolin-1-yl]propylcarbamic acid
CID 67224202
tert-butyl N-[2-[2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]carbamate
CID 69417224
2-[2-(2-chloroethyl)imidazo[4,5-c]quinolin-1-yl]-N,N-dimethylethanamine
CID 103964573
2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinoline
CID 118146486
N-(2-propylimidazo[4,5-c]quinolin-1-yl)propan-2-imine
CID 21075812
2-ethyl-1-methoxyimidazo[4,5-c]quinoline
CID 67506760
tert-butyl [2,2-dimethylpropanoyl-[4-(2-propylimidazo[4,5-c]quinolin-1-yl)butyl]amino] carbonate
CID 86612262

Frequently Asked Questions

What is the IUPAC name of ethane;methoxymethylbenzene;2-(2-propylimidazo[4,5-c]quinolin-1-yl)ethoxyphosphane?
The IUPAC name of ethane;methoxymethylbenzene;2-(2-propylimidazo[4,5-c]quinolin-1-yl)ethoxyphosphane (CID 90820432) is ethane;methoxymethylbenzene;2-(2-propylimidazo[4,5-c]quinolin-1-yl)ethoxyphosphane.
What is the SMILES notation for ethane;methoxymethylbenzene;2-(2-propylimidazo[4,5-c]quinolin-1-yl)ethoxyphosphane?
The canonical SMILES for ethane;methoxymethylbenzene;2-(2-propylimidazo[4,5-c]quinolin-1-yl)ethoxyphosphane is CC.CCCc1nc2cnc3ccccc3c2n1CCOP.COCc1ccccc1.
What is the InChIKey of ethane;methoxymethylbenzene;2-(2-propylimidazo[4,5-c]quinolin-1-yl)ethoxyphosphane?
The InChIKey is DPQJDYCZXUYXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N3OP.C8H10O.C2H6/c1-2-5-14-17-13-10-16-12-7-4-3-6-11(12)15(13)18(14)8-9-19-20;1-9-7-8-5-3-2-4-6-8;1-2/h3-4,6-7,10H,2,5,8-9,20H2,1H3;2-6H,7H2,1H3;1-2H3.
What are the key properties of ethane;methoxymethylbenzene;2-(2-propylimidazo[4,5-c]quinolin-1-yl)ethoxyphosphane?
ethane;methoxymethylbenzene;2-(2-propylimidazo[4,5-c]quinolin-1-yl)ethoxyphosphane has a molecular weight of 439.54 g/mol, XLogP of 6.20, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methoxymethylbenzene;2-(2-propylimidazo[4,5-c]quinolin-1-yl)ethoxyphosphane is sourced from PubChem (CID 90820432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).