N-[(1R)-1-[2-[[(3R)-oxolan-3-yl]methoxy]quinolin-4-yl]propyl]benzamide

C24H26N2O3 — CID 171792158

IUPACN-[(1R)-1-[2-[[(3R)-oxolan-3-yl]methoxy]quinolin-4-yl]propyl]benzamide
SMILESCC[C@@H](NC(=O)c1ccccc1)c1cc(OC[C@@H]2CCOC2)nc2ccccc12
InChIInChI=1S/C24H26N2O3/c1-2-21(26-24(27)18-8-4-3-5-9-18)20-14-23(29-16-17-12-13-28-15-17)25-22-11-7-6-10-19(20)22/h3-11,14,17,21H,2,12-13,15-16H2,1H3,(H,26,27)/t17-,21-/m1/s1
InChIKeyCBNRJKSIHKCFIR-DYESRHJHSA-N
MW390.48 g/mol
LogP4.53
Rot. Bonds7

About N-[(1R)-1-[2-[[(3R)-oxolan-3-yl]methoxy]quinolin-4-yl]propyl]benzamide

N-[(1R)-1-[2-[[(3R)-oxolan-3-yl]methoxy]quinolin-4-yl]propyl]benzamide (PubChem CID 171792158) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is N-[(1R)-1-[2-[[(3R)-oxolan-3-yl]methoxy]quinolin-4-yl]propyl]benzamide.

Molecular Properties

Compound NameN-[(1R)-1-[2-[[(3R)-oxolan-3-yl]methoxy]quinolin-4-yl]propyl]benzamide
PubChem CID171792158
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC NameN-[(1R)-1-[2-[[(3R)-oxolan-3-yl]methoxy]quinolin-4-yl]propyl]benzamide
SMILESCC[C@@H](NC(=O)c1ccccc1)c1cc(OC[C@@H]2CCOC2)nc2ccccc12
InChIInChI=1S/C24H26N2O3/c1-2-21(26-24(27)18-8-4-3-5-9-18)20-14-23(29-16-17-12-13-28-15-17)25-22-11-7-6-10-19(20)22/h3-11,14,17,21H,2,12-13,15-16H2,1H3,(H,26,27)/t17-,21-/m1/s1
InChIKeyCBNRJKSIHKCFIR-DYESRHJHSA-N
XLogP4.53
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[2-[[(3R)-oxolan-3-yl]methoxy]quinolin-4-yl]propyl]benzamide?
The IUPAC name of N-[(1R)-1-[2-[[(3R)-oxolan-3-yl]methoxy]quinolin-4-yl]propyl]benzamide (CID 171792158) is N-[(1R)-1-[2-[[(3R)-oxolan-3-yl]methoxy]quinolin-4-yl]propyl]benzamide.
What is the SMILES notation for N-[(1R)-1-[2-[[(3R)-oxolan-3-yl]methoxy]quinolin-4-yl]propyl]benzamide?
The canonical SMILES for N-[(1R)-1-[2-[[(3R)-oxolan-3-yl]methoxy]quinolin-4-yl]propyl]benzamide is CC[C@@H](NC(=O)c1ccccc1)c1cc(OC[C@@H]2CCOC2)nc2ccccc12.
What is the InChIKey of N-[(1R)-1-[2-[[(3R)-oxolan-3-yl]methoxy]quinolin-4-yl]propyl]benzamide?
The InChIKey is CBNRJKSIHKCFIR-DYESRHJHSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-2-21(26-24(27)18-8-4-3-5-9-18)20-14-23(29-16-17-12-13-28-15-17)25-22-11-7-6-10-19(20)22/h3-11,14,17,21H,2,12-13,15-16H2,1H3,(H,26,27)/t17-,21-/m1/s1.
What are the key properties of N-[(1R)-1-[2-[[(3R)-oxolan-3-yl]methoxy]quinolin-4-yl]propyl]benzamide?
N-[(1R)-1-[2-[[(3R)-oxolan-3-yl]methoxy]quinolin-4-yl]propyl]benzamide has a molecular weight of 390.48 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[2-[[(3R)-oxolan-3-yl]methoxy]quinolin-4-yl]propyl]benzamide is sourced from PubChem (CID 171792158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).