(1-phenylcyclopentyl)-[(6R)-6-(quinolin-3-ylmethyl)-1,4-oxazepan-4-yl]methanone

C27H30N2O2 — CID 124981222

IUPAC(1-phenylcyclopentyl)-[(6R)-6-(quinolin-3-ylmethyl)-1,4-oxazepan-4-yl]methanone
SMILESO=C(N1CCOC[C@H](Cc2cnc3ccccc3c2)C1)C1(c2ccccc2)CCCC1
InChIInChI=1S/C27H30N2O2/c30-26(27(12-6-7-13-27)24-9-2-1-3-10-24)29-14-15-31-20-22(19-29)16-21-17-23-8-4-5-11-25(23)28-18-21/h1-5,8-11,17-18,22H,6-7,12-16,19-20H2/t22-/m1/s1
InChIKeyMOQRGDZJWIPUJM-JOCHJYFZSA-N
MW414.55 g/mol
LogP4.76
Rot. Bonds4

About (1-phenylcyclopentyl)-[(6R)-6-(quinolin-3-ylmethyl)-1,4-oxazepan-4-yl]methanone

(1-phenylcyclopentyl)-[(6R)-6-(quinolin-3-ylmethyl)-1,4-oxazepan-4-yl]methanone (PubChem CID 124981222) has the molecular formula C27H30N2O2 and a molecular weight of 414.55 g/mol. Its IUPAC name is (1-phenylcyclopentyl)-[(6R)-6-(quinolin-3-ylmethyl)-1,4-oxazepan-4-yl]methanone.

Molecular Properties

Compound Name(1-phenylcyclopentyl)-[(6R)-6-(quinolin-3-ylmethyl)-1,4-oxazepan-4-yl]methanone
PubChem CID124981222
Molecular FormulaC27H30N2O2
Molecular Weight414.55 g/mol
Exact Mass414.23
IUPAC Name(1-phenylcyclopentyl)-[(6R)-6-(quinolin-3-ylmethyl)-1,4-oxazepan-4-yl]methanone
SMILESO=C(N1CCOC[C@H](Cc2cnc3ccccc3c2)C1)C1(c2ccccc2)CCCC1
InChIInChI=1S/C27H30N2O2/c30-26(27(12-6-7-13-27)24-9-2-1-3-10-24)29-14-15-31-20-22(19-29)16-21-17-23-8-4-5-11-25(23)28-18-21/h1-5,8-11,17-18,22H,6-7,12-16,19-20H2/t22-/m1/s1
InChIKeyMOQRGDZJWIPUJM-JOCHJYFZSA-N
XLogP4.76
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-phenylcyclopentyl)-[(6R)-6-(quinolin-3-ylmethyl)-1,4-oxazepan-4-yl]methanone?
The IUPAC name of (1-phenylcyclopentyl)-[(6R)-6-(quinolin-3-ylmethyl)-1,4-oxazepan-4-yl]methanone (CID 124981222) is (1-phenylcyclopentyl)-[(6R)-6-(quinolin-3-ylmethyl)-1,4-oxazepan-4-yl]methanone.
What is the SMILES notation for (1-phenylcyclopentyl)-[(6R)-6-(quinolin-3-ylmethyl)-1,4-oxazepan-4-yl]methanone?
The canonical SMILES for (1-phenylcyclopentyl)-[(6R)-6-(quinolin-3-ylmethyl)-1,4-oxazepan-4-yl]methanone is O=C(N1CCOC[C@H](Cc2cnc3ccccc3c2)C1)C1(c2ccccc2)CCCC1.
What is the InChIKey of (1-phenylcyclopentyl)-[(6R)-6-(quinolin-3-ylmethyl)-1,4-oxazepan-4-yl]methanone?
The InChIKey is MOQRGDZJWIPUJM-JOCHJYFZSA-N. The full InChI is InChI=1S/C27H30N2O2/c30-26(27(12-6-7-13-27)24-9-2-1-3-10-24)29-14-15-31-20-22(19-29)16-21-17-23-8-4-5-11-25(23)28-18-21/h1-5,8-11,17-18,22H,6-7,12-16,19-20H2/t22-/m1/s1.
What are the key properties of (1-phenylcyclopentyl)-[(6R)-6-(quinolin-3-ylmethyl)-1,4-oxazepan-4-yl]methanone?
(1-phenylcyclopentyl)-[(6R)-6-(quinolin-3-ylmethyl)-1,4-oxazepan-4-yl]methanone has a molecular weight of 414.55 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phenylcyclopentyl)-[(6R)-6-(quinolin-3-ylmethyl)-1,4-oxazepan-4-yl]methanone is sourced from PubChem (CID 124981222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).