N-methyl-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]furan-2-carboxamide

C15H16N2O2 — CID 99790377

IUPACN-methyl-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]furan-2-carboxamide
SMILESCN(C(=O)c1ccco1)[C@@H]1CCCc2cccnc21
InChIInChI=1S/C15H16N2O2/c1-17(15(18)13-8-4-10-19-13)12-7-2-5-11-6-3-9-16-14(11)12/h3-4,6,8-10,12H,2,5,7H2,1H3/t12-/m1/s1
InChIKeyKCZKFJXJPLQURC-GFCCVEGCSA-N
MW256.31 g/mol
LogP2.82
Rot. Bonds2

About N-methyl-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]furan-2-carboxamide

N-methyl-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]furan-2-carboxamide (PubChem CID 99790377) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is N-methyl-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]furan-2-carboxamide
PubChem CID99790377
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC NameN-methyl-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]furan-2-carboxamide
SMILESCN(C(=O)c1ccco1)[C@@H]1CCCc2cccnc21
InChIInChI=1S/C15H16N2O2/c1-17(15(18)13-8-4-10-19-13)12-7-2-5-11-6-3-9-16-14(11)12/h3-4,6,8-10,12H,2,5,7H2,1H3/t12-/m1/s1
InChIKeyKCZKFJXJPLQURC-GFCCVEGCSA-N
XLogP2.82
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]furan-2-carboxamide?
The IUPAC name of N-methyl-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]furan-2-carboxamide (CID 99790377) is N-methyl-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]furan-2-carboxamide.
What is the SMILES notation for N-methyl-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]furan-2-carboxamide?
The canonical SMILES for N-methyl-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]furan-2-carboxamide is CN(C(=O)c1ccco1)[C@@H]1CCCc2cccnc21.
What is the InChIKey of N-methyl-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]furan-2-carboxamide?
The InChIKey is KCZKFJXJPLQURC-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-17(15(18)13-8-4-10-19-13)12-7-2-5-11-6-3-9-16-14(11)12/h3-4,6,8-10,12H,2,5,7H2,1H3/t12-/m1/s1.
What are the key properties of N-methyl-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]furan-2-carboxamide?
N-methyl-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]furan-2-carboxamide has a molecular weight of 256.31 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]furan-2-carboxamide is sourced from PubChem (CID 99790377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).