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

C25H27N3O — CID 25223761

IUPACN-[2-(2,3-dihydro-1H-inden-5-ylamino)quinolin-4-yl]cyclohexanecarboxamide
SMILESO=C(Nc1cc(Nc2ccc3c(c2)CCC3)nc2ccccc12)C1CCCCC1
InChIInChI=1S/C25H27N3O/c29-25(18-7-2-1-3-8-18)28-23-16-24(27-22-12-5-4-11-21(22)23)26-20-14-13-17-9-6-10-19(17)15-20/h4-5,11-16,18H,1-3,6-10H2,(H2,26,27,28,29)
InChIKeyDXQZVIBFXKHZSI-UHFFFAOYSA-N
MW385.51 g/mol
LogP5.99
Rot. Bonds4

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

N-[2-(2,3-dihydro-1H-inden-5-ylamino)quinolin-4-yl]cyclohexanecarboxamide (PubChem CID 25223761) has the molecular formula C25H27N3O and a molecular weight of 385.51 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1H-inden-5-ylamino)quinolin-4-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1H-inden-5-ylamino)quinolin-4-yl]cyclohexanecarboxamide
PubChem CID25223761
Molecular FormulaC25H27N3O
Molecular Weight385.51 g/mol
Exact Mass385.22
IUPAC NameN-[2-(2,3-dihydro-1H-inden-5-ylamino)quinolin-4-yl]cyclohexanecarboxamide
SMILESO=C(Nc1cc(Nc2ccc3c(c2)CCC3)nc2ccccc12)C1CCCCC1
InChIInChI=1S/C25H27N3O/c29-25(18-7-2-1-3-8-18)28-23-16-24(27-22-12-5-4-11-21(22)23)26-20-14-13-17-9-6-10-19(17)15-20/h4-5,11-16,18H,1-3,6-10H2,(H2,26,27,28,29)
InChIKeyDXQZVIBFXKHZSI-UHFFFAOYSA-N
XLogP5.99
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.51
LogP ≤ 55.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1H-inden-5-ylamino)quinolin-4-yl]cyclohexanecarboxamide?
The IUPAC name of N-[2-(2,3-dihydro-1H-inden-5-ylamino)quinolin-4-yl]cyclohexanecarboxamide (CID 25223761) is N-[2-(2,3-dihydro-1H-inden-5-ylamino)quinolin-4-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-(2,3-dihydro-1H-inden-5-ylamino)quinolin-4-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-(2,3-dihydro-1H-inden-5-ylamino)quinolin-4-yl]cyclohexanecarboxamide is O=C(Nc1cc(Nc2ccc3c(c2)CCC3)nc2ccccc12)C1CCCCC1.
What is the InChIKey of N-[2-(2,3-dihydro-1H-inden-5-ylamino)quinolin-4-yl]cyclohexanecarboxamide?
The InChIKey is DXQZVIBFXKHZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O/c29-25(18-7-2-1-3-8-18)28-23-16-24(27-22-12-5-4-11-21(22)23)26-20-14-13-17-9-6-10-19(17)15-20/h4-5,11-16,18H,1-3,6-10H2,(H2,26,27,28,29).
What are the key properties of N-[2-(2,3-dihydro-1H-inden-5-ylamino)quinolin-4-yl]cyclohexanecarboxamide?
N-[2-(2,3-dihydro-1H-inden-5-ylamino)quinolin-4-yl]cyclohexanecarboxamide has a molecular weight of 385.51 g/mol, XLogP of 5.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1H-inden-5-ylamino)quinolin-4-yl]cyclohexanecarboxamide is sourced from PubChem (CID 25223761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).