4-[[(1S)-2-bicyclo[2.2.1]heptanyl]oxy]-6-propan-2-yloxyquinoline-7-carboxamide

C20H24N2O3 — CID 168854215

IUPAC4-[[(1S)-2-bicyclo[2.2.1]heptanyl]oxy]-6-propan-2-yloxyquinoline-7-carboxamide
SMILESCC(C)Oc1cc2c(OC3CC4CC[C@H]3C4)ccnc2cc1C(N)=O
InChIInChI=1S/C20H24N2O3/c1-11(2)24-19-10-14-16(9-15(19)20(21)23)22-6-5-17(14)25-18-8-12-3-4-13(18)7-12/h5-6,9-13,18H,3-4,7-8H2,1-2H3,(H2,21,23)/t12?,13-,18?/m0/s1
InChIKeyFXZZUOREYIXGKV-XYEKJYRLSA-N
MW340.42 g/mol
LogP3.69
Rot. Bonds5

About 4-[[(1S)-2-bicyclo[2.2.1]heptanyl]oxy]-6-propan-2-yloxyquinoline-7-carboxamide

4-[[(1S)-2-bicyclo[2.2.1]heptanyl]oxy]-6-propan-2-yloxyquinoline-7-carboxamide (PubChem CID 168854215) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 4-[[(1S)-2-bicyclo[2.2.1]heptanyl]oxy]-6-propan-2-yloxyquinoline-7-carboxamide.

Molecular Properties

Compound Name4-[[(1S)-2-bicyclo[2.2.1]heptanyl]oxy]-6-propan-2-yloxyquinoline-7-carboxamide
PubChem CID168854215
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name4-[[(1S)-2-bicyclo[2.2.1]heptanyl]oxy]-6-propan-2-yloxyquinoline-7-carboxamide
SMILESCC(C)Oc1cc2c(OC3CC4CC[C@H]3C4)ccnc2cc1C(N)=O
InChIInChI=1S/C20H24N2O3/c1-11(2)24-19-10-14-16(9-15(19)20(21)23)22-6-5-17(14)25-18-8-12-3-4-13(18)7-12/h5-6,9-13,18H,3-4,7-8H2,1-2H3,(H2,21,23)/t12?,13-,18?/m0/s1
InChIKeyFXZZUOREYIXGKV-XYEKJYRLSA-N
XLogP3.69
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[(1S)-2-bicyclo[2.2.1]heptanyl]oxy]-6-propan-2-yloxyquinoline-7-carboxamide?
The IUPAC name of 4-[[(1S)-2-bicyclo[2.2.1]heptanyl]oxy]-6-propan-2-yloxyquinoline-7-carboxamide (CID 168854215) is 4-[[(1S)-2-bicyclo[2.2.1]heptanyl]oxy]-6-propan-2-yloxyquinoline-7-carboxamide.
What is the SMILES notation for 4-[[(1S)-2-bicyclo[2.2.1]heptanyl]oxy]-6-propan-2-yloxyquinoline-7-carboxamide?
The canonical SMILES for 4-[[(1S)-2-bicyclo[2.2.1]heptanyl]oxy]-6-propan-2-yloxyquinoline-7-carboxamide is CC(C)Oc1cc2c(OC3CC4CC[C@H]3C4)ccnc2cc1C(N)=O.
What is the InChIKey of 4-[[(1S)-2-bicyclo[2.2.1]heptanyl]oxy]-6-propan-2-yloxyquinoline-7-carboxamide?
The InChIKey is FXZZUOREYIXGKV-XYEKJYRLSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-11(2)24-19-10-14-16(9-15(19)20(21)23)22-6-5-17(14)25-18-8-12-3-4-13(18)7-12/h5-6,9-13,18H,3-4,7-8H2,1-2H3,(H2,21,23)/t12?,13-,18?/m0/s1.
What are the key properties of 4-[[(1S)-2-bicyclo[2.2.1]heptanyl]oxy]-6-propan-2-yloxyquinoline-7-carboxamide?
4-[[(1S)-2-bicyclo[2.2.1]heptanyl]oxy]-6-propan-2-yloxyquinoline-7-carboxamide has a molecular weight of 340.42 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1S)-2-bicyclo[2.2.1]heptanyl]oxy]-6-propan-2-yloxyquinoline-7-carboxamide is sourced from PubChem (CID 168854215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).