N-[(3S,4R)-4-methoxyoxolan-3-yl]-5,6,7,8-tetrahydroquinoline-3-carboxamide

C15H20N2O3 — CID 122565209

IUPACN-[(3S,4R)-4-methoxyoxolan-3-yl]-5,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESCO[C@H]1COC[C@@H]1NC(=O)c1cnc2c(c1)CCCC2
InChIInChI=1S/C15H20N2O3/c1-19-14-9-20-8-13(14)17-15(18)11-6-10-4-2-3-5-12(10)16-7-11/h6-7,13-14H,2-5,8-9H2,1H3,(H,17,18)/t13-,14-/m0/s1
InChIKeyIKUYNMHGNQQFFO-KBPBESRZSA-N
MW276.34 g/mol
LogP1.10
Rot. Bonds3

About N-[(3S,4R)-4-methoxyoxolan-3-yl]-5,6,7,8-tetrahydroquinoline-3-carboxamide

N-[(3S,4R)-4-methoxyoxolan-3-yl]-5,6,7,8-tetrahydroquinoline-3-carboxamide (PubChem CID 122565209) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-[(3S,4R)-4-methoxyoxolan-3-yl]-5,6,7,8-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-methoxyoxolan-3-yl]-5,6,7,8-tetrahydroquinoline-3-carboxamide
PubChem CID122565209
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-[(3S,4R)-4-methoxyoxolan-3-yl]-5,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESCO[C@H]1COC[C@@H]1NC(=O)c1cnc2c(c1)CCCC2
InChIInChI=1S/C15H20N2O3/c1-19-14-9-20-8-13(14)17-15(18)11-6-10-4-2-3-5-12(10)16-7-11/h6-7,13-14H,2-5,8-9H2,1H3,(H,17,18)/t13-,14-/m0/s1
InChIKeyIKUYNMHGNQQFFO-KBPBESRZSA-N
XLogP1.10
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-methoxyoxolan-3-yl]-5,6,7,8-tetrahydroquinoline-3-carboxamide?
The IUPAC name of N-[(3S,4R)-4-methoxyoxolan-3-yl]-5,6,7,8-tetrahydroquinoline-3-carboxamide (CID 122565209) is N-[(3S,4R)-4-methoxyoxolan-3-yl]-5,6,7,8-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for N-[(3S,4R)-4-methoxyoxolan-3-yl]-5,6,7,8-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for N-[(3S,4R)-4-methoxyoxolan-3-yl]-5,6,7,8-tetrahydroquinoline-3-carboxamide is CO[C@H]1COC[C@@H]1NC(=O)c1cnc2c(c1)CCCC2.
What is the InChIKey of N-[(3S,4R)-4-methoxyoxolan-3-yl]-5,6,7,8-tetrahydroquinoline-3-carboxamide?
The InChIKey is IKUYNMHGNQQFFO-KBPBESRZSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-19-14-9-20-8-13(14)17-15(18)11-6-10-4-2-3-5-12(10)16-7-11/h6-7,13-14H,2-5,8-9H2,1H3,(H,17,18)/t13-,14-/m0/s1.
What are the key properties of N-[(3S,4R)-4-methoxyoxolan-3-yl]-5,6,7,8-tetrahydroquinoline-3-carboxamide?
N-[(3S,4R)-4-methoxyoxolan-3-yl]-5,6,7,8-tetrahydroquinoline-3-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-methoxyoxolan-3-yl]-5,6,7,8-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 122565209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).