N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]cyclohexanecarboxamide

C21H26N2O2 — CID 134703831

IUPACN-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]cyclohexanecarboxamide
SMILESO=C(N[C@H]1COC[C@H]1Cc1ccnc2ccccc12)C1CCCCC1
InChIInChI=1S/C21H26N2O2/c24-21(15-6-2-1-3-7-15)23-20-14-25-13-17(20)12-16-10-11-22-19-9-5-4-8-18(16)19/h4-5,8-11,15,17,20H,1-3,6-7,12-14H2,(H,23,24)/t17-,20+/m1/s1
InChIKeyXKJMJZBDTRRIGU-XLIONFOSSA-N
MW338.45 g/mol
LogP3.49
Rot. Bonds4

About N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]cyclohexanecarboxamide

N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]cyclohexanecarboxamide (PubChem CID 134703831) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]cyclohexanecarboxamide
PubChem CID134703831
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]cyclohexanecarboxamide
SMILESO=C(N[C@H]1COC[C@H]1Cc1ccnc2ccccc12)C1CCCCC1
InChIInChI=1S/C21H26N2O2/c24-21(15-6-2-1-3-7-15)23-20-14-25-13-17(20)12-16-10-11-22-19-9-5-4-8-18(16)19/h4-5,8-11,15,17,20H,1-3,6-7,12-14H2,(H,23,24)/t17-,20+/m1/s1
InChIKeyXKJMJZBDTRRIGU-XLIONFOSSA-N
XLogP3.49
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]cyclohexanecarboxamide?
The IUPAC name of N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]cyclohexanecarboxamide (CID 134703831) is N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]cyclohexanecarboxamide is O=C(N[C@H]1COC[C@H]1Cc1ccnc2ccccc12)C1CCCCC1.
What is the InChIKey of N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]cyclohexanecarboxamide?
The InChIKey is XKJMJZBDTRRIGU-XLIONFOSSA-N. The full InChI is InChI=1S/C21H26N2O2/c24-21(15-6-2-1-3-7-15)23-20-14-25-13-17(20)12-16-10-11-22-19-9-5-4-8-18(16)19/h4-5,8-11,15,17,20H,1-3,6-7,12-14H2,(H,23,24)/t17-,20+/m1/s1.
What are the key properties of N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]cyclohexanecarboxamide?
N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]cyclohexanecarboxamide has a molecular weight of 338.45 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]cyclohexanecarboxamide is sourced from PubChem (CID 134703831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).