N-[7-[(1R,3R)-3-hydroxycyclopentyl]oxyquinolin-6-yl]formamide

C15H16N2O3 — CID 88587666

IUPACN-[7-[(1R,3R)-3-hydroxycyclopentyl]oxyquinolin-6-yl]formamide
SMILESO=CNc1cc2cccnc2cc1O[C@@H]1CC[C@@H](O)C1
InChIInChI=1S/C15H16N2O3/c18-9-17-14-6-10-2-1-5-16-13(10)8-15(14)20-12-4-3-11(19)7-12/h1-2,5-6,8-9,11-12,19H,3-4,7H2,(H,17,18)/t11-,12-/m1/s1
InChIKeyFJTYEOSOFPCOCT-VXGBXAGGSA-N
MW272.30 g/mol
LogP2.10
Rot. Bonds4

About N-[7-[(1R,3R)-3-hydroxycyclopentyl]oxyquinolin-6-yl]formamide

N-[7-[(1R,3R)-3-hydroxycyclopentyl]oxyquinolin-6-yl]formamide (PubChem CID 88587666) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is N-[7-[(1R,3R)-3-hydroxycyclopentyl]oxyquinolin-6-yl]formamide.

Molecular Properties

Compound NameN-[7-[(1R,3R)-3-hydroxycyclopentyl]oxyquinolin-6-yl]formamide
PubChem CID88587666
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC NameN-[7-[(1R,3R)-3-hydroxycyclopentyl]oxyquinolin-6-yl]formamide
SMILESO=CNc1cc2cccnc2cc1O[C@@H]1CC[C@@H](O)C1
InChIInChI=1S/C15H16N2O3/c18-9-17-14-6-10-2-1-5-16-13(10)8-15(14)20-12-4-3-11(19)7-12/h1-2,5-6,8-9,11-12,19H,3-4,7H2,(H,17,18)/t11-,12-/m1/s1
InChIKeyFJTYEOSOFPCOCT-VXGBXAGGSA-N
XLogP2.10
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[7-[(1R,3R)-3-hydroxycyclopentyl]oxyquinolin-6-yl]formamide?
The IUPAC name of N-[7-[(1R,3R)-3-hydroxycyclopentyl]oxyquinolin-6-yl]formamide (CID 88587666) is N-[7-[(1R,3R)-3-hydroxycyclopentyl]oxyquinolin-6-yl]formamide.
What is the SMILES notation for N-[7-[(1R,3R)-3-hydroxycyclopentyl]oxyquinolin-6-yl]formamide?
The canonical SMILES for N-[7-[(1R,3R)-3-hydroxycyclopentyl]oxyquinolin-6-yl]formamide is O=CNc1cc2cccnc2cc1O[C@@H]1CC[C@@H](O)C1.
What is the InChIKey of N-[7-[(1R,3R)-3-hydroxycyclopentyl]oxyquinolin-6-yl]formamide?
The InChIKey is FJTYEOSOFPCOCT-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H16N2O3/c18-9-17-14-6-10-2-1-5-16-13(10)8-15(14)20-12-4-3-11(19)7-12/h1-2,5-6,8-9,11-12,19H,3-4,7H2,(H,17,18)/t11-,12-/m1/s1.
What are the key properties of N-[7-[(1R,3R)-3-hydroxycyclopentyl]oxyquinolin-6-yl]formamide?
N-[7-[(1R,3R)-3-hydroxycyclopentyl]oxyquinolin-6-yl]formamide has a molecular weight of 272.30 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[(1R,3R)-3-hydroxycyclopentyl]oxyquinolin-6-yl]formamide is sourced from PubChem (CID 88587666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).