N-[2-[[(1R)-1-(6-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-1,3-oxazol-4-yl]acetamide

C16H15ClN4O3 — CID 122637550

IUPACN-[2-[[(1R)-1-(6-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-1,3-oxazol-4-yl]acetamide
SMILESCC(=O)Nc1coc(N[C@H](C)c2cc3cc(Cl)ccc3[nH]c2=O)n1
InChIInChI=1S/C16H15ClN4O3/c1-8(18-16-21-14(7-24-16)19-9(2)22)12-6-10-5-11(17)3-4-13(10)20-15(12)23/h3-8H,1-2H3,(H,18,21)(H,19,22)(H,20,23)/t8-/m1/s1
InChIKeyLAVVHDXCIIUFHD-MRVPVSSYSA-N
MW346.77 g/mol
LogP3.30
Rot. Bonds4

About N-[2-[[(1R)-1-(6-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-1,3-oxazol-4-yl]acetamide

N-[2-[[(1R)-1-(6-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-1,3-oxazol-4-yl]acetamide (PubChem CID 122637550) has the molecular formula C16H15ClN4O3 and a molecular weight of 346.77 g/mol. Its IUPAC name is N-[2-[[(1R)-1-(6-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-1,3-oxazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-[[(1R)-1-(6-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-1,3-oxazol-4-yl]acetamide
PubChem CID122637550
Molecular FormulaC16H15ClN4O3
Molecular Weight346.77 g/mol
Exact Mass346.08
IUPAC NameN-[2-[[(1R)-1-(6-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-1,3-oxazol-4-yl]acetamide
SMILESCC(=O)Nc1coc(N[C@H](C)c2cc3cc(Cl)ccc3[nH]c2=O)n1
InChIInChI=1S/C16H15ClN4O3/c1-8(18-16-21-14(7-24-16)19-9(2)22)12-6-10-5-11(17)3-4-13(10)20-15(12)23/h3-8H,1-2H3,(H,18,21)(H,19,22)(H,20,23)/t8-/m1/s1
InChIKeyLAVVHDXCIIUFHD-MRVPVSSYSA-N
XLogP3.30
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.77
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[2-[[(1R)-1-(6-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-1,3-oxazol-4-yl]acetamide with MolForge

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Launch Full Analysis

Related Compounds

N-[2-[1-(6-chloro-7-fluoro-2-oxo-1H-quinolin-3-yl)ethylamino]-1,3-oxazol-4-yl]acetamide
CID 122637401
3-[[(1R)-1-(6-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-1-methylpyrazole-5-carboxamide
CID 122637676
3-[1-[(4-bromo-2-pyridinyl)amino]ethyl]-6-chloro-1H-quinolin-2-one
CID 118956163
2-[[(1S)-1-(6-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-N-propan-2-ylpyrimidine-4-carboxamide
CID 118953959
3-[2-[[(1S)-1-(6-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-4-pyridinyl]-2,2-dimethyl-1,3-oxazolidin-4-one
CID 118967535
3-[1-[[4-(2-acetylphenyl)pyrimidin-2-yl]amino]ethyl]-6-chloro-1H-quinolin-2-one
CID 146221782
3-[(1S)-1-[[4-(2-acetylphenyl)pyrimidin-2-yl]amino]ethyl]-6-chloro-1H-quinolin-2-one
CID 118953901
2-[1-(6-chloro-2-oxo-1H-quinolin-3-yl)ethylamino]-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 146222002
6-chloro-3-[(1S)-1-[(4-methylsulfonylpyrimidin-2-yl)amino]ethyl]-1H-quinolin-2-one
CID 118953989
3-[2-[[(1S)-1-(6-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-6-methyl-4-pyridinyl]-1,3-oxazolidin-2-one
CID 118956183
6-chloro-3-[1-[[4-(4,5-dimethylimidazol-1-yl)pyrimidin-2-yl]amino]ethyl]-1H-quinolin-2-one
CID 118953617
6-chloro-3-[(1S)-1-[(3-fluoro-4-iodo-2-pyridinyl)amino]ethyl]-1H-quinolin-2-one;sulfane
CID 159425412

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(1R)-1-(6-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-1,3-oxazol-4-yl]acetamide?
The IUPAC name of N-[2-[[(1R)-1-(6-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-1,3-oxazol-4-yl]acetamide (CID 122637550) is N-[2-[[(1R)-1-(6-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-1,3-oxazol-4-yl]acetamide.
What is the SMILES notation for N-[2-[[(1R)-1-(6-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-1,3-oxazol-4-yl]acetamide?
The canonical SMILES for N-[2-[[(1R)-1-(6-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-1,3-oxazol-4-yl]acetamide is CC(=O)Nc1coc(N[C@H](C)c2cc3cc(Cl)ccc3[nH]c2=O)n1.
What is the InChIKey of N-[2-[[(1R)-1-(6-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-1,3-oxazol-4-yl]acetamide?
The InChIKey is LAVVHDXCIIUFHD-MRVPVSSYSA-N. The full InChI is InChI=1S/C16H15ClN4O3/c1-8(18-16-21-14(7-24-16)19-9(2)22)12-6-10-5-11(17)3-4-13(10)20-15(12)23/h3-8H,1-2H3,(H,18,21)(H,19,22)(H,20,23)/t8-/m1/s1.
What are the key properties of N-[2-[[(1R)-1-(6-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-1,3-oxazol-4-yl]acetamide?
N-[2-[[(1R)-1-(6-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-1,3-oxazol-4-yl]acetamide has a molecular weight of 346.77 g/mol, XLogP of 3.30, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(1R)-1-(6-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-1,3-oxazol-4-yl]acetamide is sourced from PubChem (CID 122637550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).