oxolan-2-ylmethyl N-[(8-hydroxyquinolin-7-yl)methyl]carbamate

C16H18N2O4 — CID 154770124

IUPACoxolan-2-ylmethyl N-[(8-hydroxyquinolin-7-yl)methyl]carbamate
SMILESO=C(NCc1ccc2cccnc2c1O)OCC1CCCO1
InChIInChI=1S/C16H18N2O4/c19-15-12(6-5-11-3-1-7-17-14(11)15)9-18-16(20)22-10-13-4-2-8-21-13/h1,3,5-7,13,19H,2,4,8-10H2,(H,18,20)
InChIKeyOHYSRWLXSKTXIJ-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.35
Rot. Bonds4

About oxolan-2-ylmethyl N-[(8-hydroxyquinolin-7-yl)methyl]carbamate

oxolan-2-ylmethyl N-[(8-hydroxyquinolin-7-yl)methyl]carbamate (PubChem CID 154770124) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is oxolan-2-ylmethyl N-[(8-hydroxyquinolin-7-yl)methyl]carbamate.

Molecular Properties

Compound Nameoxolan-2-ylmethyl N-[(8-hydroxyquinolin-7-yl)methyl]carbamate
PubChem CID154770124
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Nameoxolan-2-ylmethyl N-[(8-hydroxyquinolin-7-yl)methyl]carbamate
SMILESO=C(NCc1ccc2cccnc2c1O)OCC1CCCO1
InChIInChI=1S/C16H18N2O4/c19-15-12(6-5-11-3-1-7-17-14(11)15)9-18-16(20)22-10-13-4-2-8-21-13/h1,3,5-7,13,19H,2,4,8-10H2,(H,18,20)
InChIKeyOHYSRWLXSKTXIJ-UHFFFAOYSA-N
XLogP2.35
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-1-[[(2S)-oxolan-2-yl]methyl]-3-(quinolin-8-ylmethyl)urea
CID 97099557
[(2R)-oxolan-2-yl]methyl N-[[(2S)-oxolan-2-yl]methyl]carbamate
CID 100762559
oxolan-2-ylmethyl 3-aminopyridine-2-carboxylate
CID 103993274
oxolan-2-ylmethyl N-(2-phenylsulfanylethyl)carbamate
CID 119038406
[(2R)-oxolan-2-yl]methyl N-(2-phenylsulfanylethyl)carbamate
CID 100762774
1-[[(2S)-oxolan-2-yl]methyl]-1-[[(2R)-oxolan-2-yl]methyl]-3-quinolin-8-ylurea
CID 95152122
oxan-2-ylmethyl 2-fluoropyridine-3-carboxylate
CID 107271843
N-[(2-methoxy-3-pyridinyl)methyl]-3-[[(2R)-oxolan-2-yl]methoxy]propanamide
CID 51947667
oxolan-2-ylmethyl pyridine-3-carboxylate
CID 6260
molecular hydrogen;oxolan-2-ylmethyl N-phenylcarbamate
CID 143703074
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(8-hydroxyquinolin-7-yl)methyl]propanamide
CID 127266617
[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone
CID 97013755

Frequently Asked Questions

What is the IUPAC name of oxolan-2-ylmethyl N-[(8-hydroxyquinolin-7-yl)methyl]carbamate?
The IUPAC name of oxolan-2-ylmethyl N-[(8-hydroxyquinolin-7-yl)methyl]carbamate (CID 154770124) is oxolan-2-ylmethyl N-[(8-hydroxyquinolin-7-yl)methyl]carbamate.
What is the SMILES notation for oxolan-2-ylmethyl N-[(8-hydroxyquinolin-7-yl)methyl]carbamate?
The canonical SMILES for oxolan-2-ylmethyl N-[(8-hydroxyquinolin-7-yl)methyl]carbamate is O=C(NCc1ccc2cccnc2c1O)OCC1CCCO1.
What is the InChIKey of oxolan-2-ylmethyl N-[(8-hydroxyquinolin-7-yl)methyl]carbamate?
The InChIKey is OHYSRWLXSKTXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c19-15-12(6-5-11-3-1-7-17-14(11)15)9-18-16(20)22-10-13-4-2-8-21-13/h1,3,5-7,13,19H,2,4,8-10H2,(H,18,20).
What are the key properties of oxolan-2-ylmethyl N-[(8-hydroxyquinolin-7-yl)methyl]carbamate?
oxolan-2-ylmethyl N-[(8-hydroxyquinolin-7-yl)methyl]carbamate has a molecular weight of 302.33 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-ylmethyl N-[(8-hydroxyquinolin-7-yl)methyl]carbamate is sourced from PubChem (CID 154770124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).