N-(2,3-dihydro-1H-inden-1-yl)-3-quinolin-8-yloxycyclobutane-1-carboxamide

C23H22N2O2 — CID 139369320

IUPACN-(2,3-dihydro-1H-inden-1-yl)-3-quinolin-8-yloxycyclobutane-1-carboxamide
SMILESO=C(NC1CCc2ccccc21)C1CC(Oc2cccc3cccnc23)C1
InChIInChI=1S/C23H22N2O2/c26-23(25-20-11-10-15-5-1-2-8-19(15)20)17-13-18(14-17)27-21-9-3-6-16-7-4-12-24-22(16)21/h1-9,12,17-18,20H,10-11,13-14H2,(H,25,26)
InChIKeyXXXUUNWVRKUCEC-UHFFFAOYSA-N
MW358.44 g/mol
LogP4.20
Rot. Bonds4

About N-(2,3-dihydro-1H-inden-1-yl)-3-quinolin-8-yloxycyclobutane-1-carboxamide

N-(2,3-dihydro-1H-inden-1-yl)-3-quinolin-8-yloxycyclobutane-1-carboxamide (PubChem CID 139369320) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-1-yl)-3-quinolin-8-yloxycyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-1-yl)-3-quinolin-8-yloxycyclobutane-1-carboxamide
PubChem CID139369320
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC NameN-(2,3-dihydro-1H-inden-1-yl)-3-quinolin-8-yloxycyclobutane-1-carboxamide
SMILESO=C(NC1CCc2ccccc21)C1CC(Oc2cccc3cccnc23)C1
InChIInChI=1S/C23H22N2O2/c26-23(25-20-11-10-15-5-1-2-8-19(15)20)17-13-18(14-17)27-21-9-3-6-16-7-4-12-24-22(16)21/h1-9,12,17-18,20H,10-11,13-14H2,(H,25,26)
InChIKeyXXXUUNWVRKUCEC-UHFFFAOYSA-N
XLogP4.20
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1H-inden-1-yl)cyclobutanecarboxamide
CID 47129715
(1S,5S)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 98289017
4-(1H-benzimidazol-2-ylamino)-N-(2,3-dihydro-1H-inden-1-yl)cyclohexane-1-carboxamide
CID 70014718
3-amino-N-(2,3-dihydro-1H-inden-1-yl)cyclohexane-1-carboxamide
CID 63042687
2-(2,3-dihydro-1H-inden-1-ylcarbamoyl)cyclobutane-1-carboxylic acid
CID 120974624
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]cyclopropanecarboxamide
CID 7688429
1-(2-cyclopentyloxyphenyl)-3-(2,3-dihydro-1H-inden-1-yl)urea
CID 75415529
(2-chlorophenyl)-(4-quinolin-8-yloxypiperidin-1-yl)methanone
CID 91625334
N-(2,3-dihydro-1H-inden-1-yl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 51273823
(2S,4R)-4-amino-N-[(1S)-2,3-dihydro-1H-inden-1-yl]pyrrolidine-2-carboxamide
CID 56706776
[1-oxo-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-yl] (E)-3-quinolin-8-ylprop-2-enoate
CID 16608038
methyl 3-(6-fluoroquinolin-8-yl)oxycyclobutane-1-carboxylate
CID 139369211

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-3-quinolin-8-yloxycyclobutane-1-carboxamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-3-quinolin-8-yloxycyclobutane-1-carboxamide (CID 139369320) is N-(2,3-dihydro-1H-inden-1-yl)-3-quinolin-8-yloxycyclobutane-1-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-1-yl)-3-quinolin-8-yloxycyclobutane-1-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-1-yl)-3-quinolin-8-yloxycyclobutane-1-carboxamide is O=C(NC1CCc2ccccc21)C1CC(Oc2cccc3cccnc23)C1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-1-yl)-3-quinolin-8-yloxycyclobutane-1-carboxamide?
The InChIKey is XXXUUNWVRKUCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2/c26-23(25-20-11-10-15-5-1-2-8-19(15)20)17-13-18(14-17)27-21-9-3-6-16-7-4-12-24-22(16)21/h1-9,12,17-18,20H,10-11,13-14H2,(H,25,26).
What are the key properties of N-(2,3-dihydro-1H-inden-1-yl)-3-quinolin-8-yloxycyclobutane-1-carboxamide?
N-(2,3-dihydro-1H-inden-1-yl)-3-quinolin-8-yloxycyclobutane-1-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-1-yl)-3-quinolin-8-yloxycyclobutane-1-carboxamide is sourced from PubChem (CID 139369320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).