N-(2,3-dihydro-1H-inden-1-yl)-5-[(3-methoxyphenyl)methoxy]quinolin-2-amine

C26H24N2O2 — CID 67096058

IUPACN-(2,3-dihydro-1H-inden-1-yl)-5-[(3-methoxyphenyl)methoxy]quinolin-2-amine
SMILESCOc1cccc(COc2cccc3nc(NC4CCc5ccccc54)ccc23)c1
InChIInChI=1S/C26H24N2O2/c1-29-20-8-4-6-18(16-20)17-30-25-11-5-10-23-22(25)13-15-26(27-23)28-24-14-12-19-7-2-3-9-21(19)24/h2-11,13,15-16,24H,12,14,17H2,1H3,(H,27,28)
InChIKeyIIDSKSYCTRHEDP-UHFFFAOYSA-N
MW396.49 g/mol
LogP5.92
Rot. Bonds6

About N-(2,3-dihydro-1H-inden-1-yl)-5-[(3-methoxyphenyl)methoxy]quinolin-2-amine

N-(2,3-dihydro-1H-inden-1-yl)-5-[(3-methoxyphenyl)methoxy]quinolin-2-amine (PubChem CID 67096058) has the molecular formula C26H24N2O2 and a molecular weight of 396.49 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-1-yl)-5-[(3-methoxyphenyl)methoxy]quinolin-2-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-1-yl)-5-[(3-methoxyphenyl)methoxy]quinolin-2-amine
PubChem CID67096058
Molecular FormulaC26H24N2O2
Molecular Weight396.49 g/mol
Exact Mass396.18
IUPAC NameN-(2,3-dihydro-1H-inden-1-yl)-5-[(3-methoxyphenyl)methoxy]quinolin-2-amine
SMILESCOc1cccc(COc2cccc3nc(NC4CCc5ccccc54)ccc23)c1
InChIInChI=1S/C26H24N2O2/c1-29-20-8-4-6-18(16-20)17-30-25-11-5-10-23-22(25)13-15-26(27-23)28-24-14-12-19-7-2-3-9-21(19)24/h2-11,13,15-16,24H,12,14,17H2,1H3,(H,27,28)
InChIKeyIIDSKSYCTRHEDP-UHFFFAOYSA-N
XLogP5.92
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.49
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-5-[(3-methoxyphenyl)methoxy]quinolin-2-amine?
The IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-5-[(3-methoxyphenyl)methoxy]quinolin-2-amine (CID 67096058) is N-(2,3-dihydro-1H-inden-1-yl)-5-[(3-methoxyphenyl)methoxy]quinolin-2-amine.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-1-yl)-5-[(3-methoxyphenyl)methoxy]quinolin-2-amine?
The canonical SMILES for N-(2,3-dihydro-1H-inden-1-yl)-5-[(3-methoxyphenyl)methoxy]quinolin-2-amine is COc1cccc(COc2cccc3nc(NC4CCc5ccccc54)ccc23)c1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-1-yl)-5-[(3-methoxyphenyl)methoxy]quinolin-2-amine?
The InChIKey is IIDSKSYCTRHEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O2/c1-29-20-8-4-6-18(16-20)17-30-25-11-5-10-23-22(25)13-15-26(27-23)28-24-14-12-19-7-2-3-9-21(19)24/h2-11,13,15-16,24H,12,14,17H2,1H3,(H,27,28).
What are the key properties of N-(2,3-dihydro-1H-inden-1-yl)-5-[(3-methoxyphenyl)methoxy]quinolin-2-amine?
N-(2,3-dihydro-1H-inden-1-yl)-5-[(3-methoxyphenyl)methoxy]quinolin-2-amine has a molecular weight of 396.49 g/mol, XLogP of 5.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-1-yl)-5-[(3-methoxyphenyl)methoxy]quinolin-2-amine is sourced from PubChem (CID 67096058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).