2-cyclopropyl-N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]quinoline-4-carboxamide

C20H24N2O4 — CID 91761737

IUPAC2-cyclopropyl-N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]quinoline-4-carboxamide
SMILESO=C(N[C@@H]1CCOC[C@H]1OCCO)c1cc(C2CC2)nc2ccccc12
InChIInChI=1S/C20H24N2O4/c23-8-10-26-19-12-25-9-7-17(19)22-20(24)15-11-18(13-5-6-13)21-16-4-2-1-3-14(15)16/h1-4,11,13,17,19,23H,5-10,12H2,(H,22,24)/t17-,19-/m1/s1
InChIKeyAPPIDNFFFNFFBZ-IEBWSBKVSA-N
MW356.42 g/mol
LogP2.01
Rot. Bonds6

About 2-cyclopropyl-N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]quinoline-4-carboxamide

2-cyclopropyl-N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]quinoline-4-carboxamide (PubChem CID 91761737) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]quinoline-4-carboxamide
PubChem CID91761737
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name2-cyclopropyl-N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]quinoline-4-carboxamide
SMILESO=C(N[C@@H]1CCOC[C@H]1OCCO)c1cc(C2CC2)nc2ccccc12
InChIInChI=1S/C20H24N2O4/c23-8-10-26-19-12-25-9-7-17(19)22-20(24)15-11-18(13-5-6-13)21-16-4-2-1-3-14(15)16/h1-4,11,13,17,19,23H,5-10,12H2,(H,22,24)/t17-,19-/m1/s1
InChIKeyAPPIDNFFFNFFBZ-IEBWSBKVSA-N
XLogP2.01
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]quinoline-4-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]quinoline-4-carboxamide (CID 91761737) is 2-cyclopropyl-N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]quinoline-4-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]quinoline-4-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]quinoline-4-carboxamide is O=C(N[C@@H]1CCOC[C@H]1OCCO)c1cc(C2CC2)nc2ccccc12.
What is the InChIKey of 2-cyclopropyl-N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]quinoline-4-carboxamide?
The InChIKey is APPIDNFFFNFFBZ-IEBWSBKVSA-N. The full InChI is InChI=1S/C20H24N2O4/c23-8-10-26-19-12-25-9-7-17(19)22-20(24)15-11-18(13-5-6-13)21-16-4-2-1-3-14(15)16/h1-4,11,13,17,19,23H,5-10,12H2,(H,22,24)/t17-,19-/m1/s1.
What are the key properties of 2-cyclopropyl-N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]quinoline-4-carboxamide?
2-cyclopropyl-N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]quinoline-4-carboxamide has a molecular weight of 356.42 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]quinoline-4-carboxamide is sourced from PubChem (CID 91761737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).