8-bromo-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide

C15H15BrN2O2 — CID 95741072

IUPAC8-bromo-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide
SMILESO=C(NC[C@@H]1CCCO1)c1ccnc2c(Br)cccc12
InChIInChI=1S/C15H15BrN2O2/c16-13-5-1-4-11-12(6-7-17-14(11)13)15(19)18-9-10-3-2-8-20-10/h1,4-7,10H,2-3,8-9H2,(H,18,19)/t10-/m0/s1
InChIKeyWVOQARDZMLKYRH-JTQLQIEISA-N
MW335.20 g/mol
LogP2.91
Rot. Bonds3

About 8-bromo-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide

8-bromo-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide (PubChem CID 95741072) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is 8-bromo-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name8-bromo-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide
PubChem CID95741072
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC Name8-bromo-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide
SMILESO=C(NC[C@@H]1CCCO1)c1ccnc2c(Br)cccc12
InChIInChI=1S/C15H15BrN2O2/c16-13-5-1-4-11-12(6-7-17-14(11)13)15(19)18-9-10-3-2-8-20-10/h1,4-7,10H,2-3,8-9H2,(H,18,19)/t10-/m0/s1
InChIKeyWVOQARDZMLKYRH-JTQLQIEISA-N
XLogP2.91
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(oxolan-2-ylmethyl)-8-[[5-(oxolan-2-ylmethylcarbamoyl)quinolin-8-yl]disulfanyl]quinoline-5-carboxamide
CID 90145831
8-methylsulfanyl-N-(oxolan-2-ylmethyl)quinoline-5-carboxamide
CID 90112695
4-fluoro-N-[[(2R)-oxolan-2-yl]methyl]naphthalene-1-carboxamide
CID 689145
1-chloro-N-(oxolan-2-ylmethyl)isoquinoline-4-carboxamide
CID 106765879
2-[(2-bromobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide
CID 4935365
N-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]naphthalene-1-carboxamide
CID 1319633
N-(oxolan-2-ylmethyl)-1H-benzimidazole-4-carboxamide
CID 110700823
N-(oxolan-2-ylmethyl)-1H-indazole-4-carboxamide
CID 47330976
2-N,6-N-bis(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 4668561
2,3-dimethoxy-N-(oxolan-2-ylmethyl)benzamide
CID 4781408
2-methyl-8-(4-methylphenyl)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide
CID 46334731
4-amino-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 81236289

Frequently Asked Questions

What is the IUPAC name of 8-bromo-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide?
The IUPAC name of 8-bromo-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide (CID 95741072) is 8-bromo-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide.
What is the SMILES notation for 8-bromo-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide?
The canonical SMILES for 8-bromo-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide is O=C(NC[C@@H]1CCCO1)c1ccnc2c(Br)cccc12.
What is the InChIKey of 8-bromo-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide?
The InChIKey is WVOQARDZMLKYRH-JTQLQIEISA-N. The full InChI is InChI=1S/C15H15BrN2O2/c16-13-5-1-4-11-12(6-7-17-14(11)13)15(19)18-9-10-3-2-8-20-10/h1,4-7,10H,2-3,8-9H2,(H,18,19)/t10-/m0/s1.
What are the key properties of 8-bromo-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide?
8-bromo-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide has a molecular weight of 335.20 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide is sourced from PubChem (CID 95741072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).