N-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-5-yl]-2-(4-methoxyphenyl)acetamide

C27H25N3O2 — CID 74953808

IUPACN-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-5-yl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2cccc3nc(NC4CCc5ccccc54)ccc23)cc1
InChIInChI=1S/C27H25N3O2/c1-32-20-12-9-18(10-13-20)17-27(31)30-24-8-4-7-23-22(24)14-16-26(28-23)29-25-15-11-19-5-2-3-6-21(19)25/h2-10,12-14,16,25H,11,15,17H2,1H3,(H,28,29)(H,30,31)
InChIKeyHGKTZPAKMSDFRM-UHFFFAOYSA-N
MW423.52 g/mol
LogP5.52
Rot. Bonds6

About N-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-5-yl]-2-(4-methoxyphenyl)acetamide

N-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-5-yl]-2-(4-methoxyphenyl)acetamide (PubChem CID 74953808) has the molecular formula C27H25N3O2 and a molecular weight of 423.52 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-5-yl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-5-yl]-2-(4-methoxyphenyl)acetamide
PubChem CID74953808
Molecular FormulaC27H25N3O2
Molecular Weight423.52 g/mol
Exact Mass423.19
IUPAC NameN-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-5-yl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2cccc3nc(NC4CCc5ccccc54)ccc23)cc1
InChIInChI=1S/C27H25N3O2/c1-32-20-12-9-18(10-13-20)17-27(31)30-24-8-4-7-23-22(24)14-16-26(28-23)29-25-15-11-19-5-2-3-6-21(19)25/h2-10,12-14,16,25H,11,15,17H2,1H3,(H,28,29)(H,30,31)
InChIKeyHGKTZPAKMSDFRM-UHFFFAOYSA-N
XLogP5.52
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.52
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-5-yl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-5-yl]-2-(4-methoxyphenyl)acetamide (CID 74953808) is N-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-5-yl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-5-yl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-5-yl]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)Nc2cccc3nc(NC4CCc5ccccc54)ccc23)cc1.
What is the InChIKey of N-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-5-yl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is HGKTZPAKMSDFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O2/c1-32-20-12-9-18(10-13-20)17-27(31)30-24-8-4-7-23-22(24)14-16-26(28-23)29-25-15-11-19-5-2-3-6-21(19)25/h2-10,12-14,16,25H,11,15,17H2,1H3,(H,28,29)(H,30,31).
What are the key properties of N-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-5-yl]-2-(4-methoxyphenyl)acetamide?
N-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-5-yl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 423.52 g/mol, XLogP of 5.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-5-yl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 74953808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).