N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]quinoline-5-carboxamide

C16H18N2O3 — CID 107302188

IUPACN-[(3-hydroxy-2-methyloxolan-3-yl)methyl]quinoline-5-carboxamide
SMILESCC1OCCC1(O)CNC(=O)c1cccc2ncccc12
InChIInChI=1S/C16H18N2O3/c1-11-16(20,7-9-21-11)10-18-15(19)13-4-2-6-14-12(13)5-3-8-17-14/h2-6,8,11,20H,7,9-10H2,1H3,(H,18,19)
InChIKeyRIGVCRQLBVJMKQ-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.50
Rot. Bonds3

About N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]quinoline-5-carboxamide

N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]quinoline-5-carboxamide (PubChem CID 107302188) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]quinoline-5-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxy-2-methyloxolan-3-yl)methyl]quinoline-5-carboxamide
PubChem CID107302188
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC NameN-[(3-hydroxy-2-methyloxolan-3-yl)methyl]quinoline-5-carboxamide
SMILESCC1OCCC1(O)CNC(=O)c1cccc2ncccc12
InChIInChI=1S/C16H18N2O3/c1-11-16(20,7-9-21-11)10-18-15(19)13-4-2-6-14-12(13)5-3-8-17-14/h2-6,8,11,20H,7,9-10H2,1H3,(H,18,19)
InChIKeyRIGVCRQLBVJMKQ-UHFFFAOYSA-N
XLogP1.50
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-methylpyridine-2-carboxamide
CID 107301519
2-hydroxy-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-methylbenzamide
CID 107301454
N-[(1-hydroxycyclobutyl)methyl]quinoline-5-carboxamide
CID 115668807
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-pyridin-2-ylacetamide
CID 106102914
3,4,5-trichloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]pyridine-2-carboxamide
CID 107302208
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-iodobenzamide
CID 107301897
5-bromo-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-methylbenzamide
CID 107302287
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-4-methylbenzamide
CID 107302098
5-bromo-2-chloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]pyridine-3-carboxamide
CID 107301534
4-tert-butyl-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide
CID 107301763
2,5-dichloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]thiophene-3-carboxamide
CID 107302139
5-amino-2-fluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide
CID 106099116

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]quinoline-5-carboxamide?
The IUPAC name of N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]quinoline-5-carboxamide (CID 107302188) is N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]quinoline-5-carboxamide.
What is the SMILES notation for N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]quinoline-5-carboxamide?
The canonical SMILES for N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]quinoline-5-carboxamide is CC1OCCC1(O)CNC(=O)c1cccc2ncccc12.
What is the InChIKey of N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]quinoline-5-carboxamide?
The InChIKey is RIGVCRQLBVJMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-11-16(20,7-9-21-11)10-18-15(19)13-4-2-6-14-12(13)5-3-8-17-14/h2-6,8,11,20H,7,9-10H2,1H3,(H,18,19).
What are the key properties of N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]quinoline-5-carboxamide?
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]quinoline-5-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]quinoline-5-carboxamide is sourced from PubChem (CID 107302188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).