2-[11-[2-(diethylamino)ethoxy]indolo[3,2-b]quinolin-10-yl]-N,N-diethylethanamine

C27H36N4O — CID 52941408

IUPAC2-[11-[2-(diethylamino)ethoxy]indolo[3,2-b]quinolin-10-yl]-N,N-diethylethanamine
SMILESCCN(CC)CCOc1c2ccccc2nc2c3ccccc3n(CCN(CC)CC)c12
InChIInChI=1S/C27H36N4O/c1-5-29(6-2)17-18-31-24-16-12-10-14-22(24)25-26(31)27(32-20-19-30(7-3)8-4)21-13-9-11-15-23(21)28-25/h9-16H,5-8,17-20H2,1-4H3
InChIKeyNLLFRPMDBKVGRY-UHFFFAOYSA-N
MW432.61 g/mol
LogP5.41
Rot. Bonds11

About 2-[11-[2-(diethylamino)ethoxy]indolo[3,2-b]quinolin-10-yl]-N,N-diethylethanamine

2-[11-[2-(diethylamino)ethoxy]indolo[3,2-b]quinolin-10-yl]-N,N-diethylethanamine (PubChem CID 52941408) has the molecular formula C27H36N4O and a molecular weight of 432.61 g/mol. Its IUPAC name is 2-[11-[2-(diethylamino)ethoxy]indolo[3,2-b]quinolin-10-yl]-N,N-diethylethanamine.

Molecular Properties

Compound Name2-[11-[2-(diethylamino)ethoxy]indolo[3,2-b]quinolin-10-yl]-N,N-diethylethanamine
PubChem CID52941408
Molecular FormulaC27H36N4O
Molecular Weight432.61 g/mol
Exact Mass432.29
IUPAC Name2-[11-[2-(diethylamino)ethoxy]indolo[3,2-b]quinolin-10-yl]-N,N-diethylethanamine
SMILESCCN(CC)CCOc1c2ccccc2nc2c3ccccc3n(CCN(CC)CC)c12
InChIInChI=1S/C27H36N4O/c1-5-29(6-2)17-18-31-24-16-12-10-14-22(24)25-26(31)27(32-20-19-30(7-3)8-4)21-13-9-11-15-23(21)28-25/h9-16H,5-8,17-20H2,1-4H3
InChIKeyNLLFRPMDBKVGRY-UHFFFAOYSA-N
XLogP5.41
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.61
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

SK&F 96079
CID 196776
1-Methyl-2-[5-((S)-1-methyl-pyrrolidin-2-ylmethoxy)-pyridin-3-yl]-1H-indole
CID 44372368
3-methyl-6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-triazolo[5,1-c][1,4]benzoxazine
CID 46900606
methyl 4-methyl-1-phenyl-2,3-dihydro-1H-pyrrolo[3,2-c]quinolin-6-yl ether
CID 3307854
2-(6-methoxy-4-methyl-2,3-dihydro-1H-pyrrolo[3,2-c]quinolin-1-yl)phenyl methyl ether
CID 3758900
6-Methoxy-4-methyl-1-o-tolyl-1H-pyrrolo[3,2-c]quinoline
CID 44297512
2-Methyl-4-[[1-(2-phenylethyl)piperidin-4-yl]methoxy]pyrrolo[3,4-c]quinoline
CID 44629279
4-[(1-Butylpiperidin-4-yl)methoxy]-2-methylpyrrolo[3,4-c]quinoline
CID 44629280
N-[[5-[2-(4-benzylpiperidin-1-yl)ethoxy]-1-methylindol-2-yl]methyl]-N-methylprop-2-yn-1-amine
CID 53390336
2-Benzyl-1-methyl-7-phenylmethoxy-9-propylpyrido[3,4-b]indol-2-ium bromide
CID 54767050
9-Benzyl-2-hexyl-1-methyl-7-phenylmethoxypyrido[3,4-b]indol-2-ium bromide
CID 54767197
9-Benzyl-1-methyl-2-(3-methylbutyl)-7-phenylmethoxypyrido[3,4-b]indol-2-ium bromide
CID 54767201

Frequently Asked Questions

What is the IUPAC name of 2-[11-[2-(diethylamino)ethoxy]indolo[3,2-b]quinolin-10-yl]-N,N-diethylethanamine?
The IUPAC name of 2-[11-[2-(diethylamino)ethoxy]indolo[3,2-b]quinolin-10-yl]-N,N-diethylethanamine (CID 52941408) is 2-[11-[2-(diethylamino)ethoxy]indolo[3,2-b]quinolin-10-yl]-N,N-diethylethanamine.
What is the SMILES notation for 2-[11-[2-(diethylamino)ethoxy]indolo[3,2-b]quinolin-10-yl]-N,N-diethylethanamine?
The canonical SMILES for 2-[11-[2-(diethylamino)ethoxy]indolo[3,2-b]quinolin-10-yl]-N,N-diethylethanamine is CCN(CC)CCOc1c2ccccc2nc2c3ccccc3n(CCN(CC)CC)c12.
What is the InChIKey of 2-[11-[2-(diethylamino)ethoxy]indolo[3,2-b]quinolin-10-yl]-N,N-diethylethanamine?
The InChIKey is NLLFRPMDBKVGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N4O/c1-5-29(6-2)17-18-31-24-16-12-10-14-22(24)25-26(31)27(32-20-19-30(7-3)8-4)21-13-9-11-15-23(21)28-25/h9-16H,5-8,17-20H2,1-4H3.
What are the key properties of 2-[11-[2-(diethylamino)ethoxy]indolo[3,2-b]quinolin-10-yl]-N,N-diethylethanamine?
2-[11-[2-(diethylamino)ethoxy]indolo[3,2-b]quinolin-10-yl]-N,N-diethylethanamine has a molecular weight of 432.61 g/mol, XLogP of 5.41, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[11-[2-(diethylamino)ethoxy]indolo[3,2-b]quinolin-10-yl]-N,N-diethylethanamine is sourced from PubChem (CID 52941408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).