6-chloro-3-[(1S)-1-[[4-(5-methyltetrazol-1-yl)-1,3-oxazol-2-yl]amino]ethyl]-7-[(1R)-1-pyridin-2-ylethoxy]-1H-quinolin-2-one

C23H21ClN8O3 — CID 122637701

IUPAC6-chloro-3-[(1S)-1-[[4-(5-methyltetrazol-1-yl)-1,3-oxazol-2-yl]amino]ethyl]-7-[(1R)-1-pyridin-2-ylethoxy]-1H-quinolin-2-one
SMILESCc1nnnn1-c1coc(N[C@@H](C)c2cc3cc(Cl)c(O[C@H](C)c4ccccn4)cc3[nH]c2=O)n1
InChIInChI=1S/C23H21ClN8O3/c1-12(26-23-28-21(11-34-23)32-14(3)29-30-31-32)16-8-15-9-17(24)20(10-19(15)27-22(16)33)35-13(2)18-6-4-5-7-25-18/h4-13H,1-3H3,(H,26,28)(H,27,33)/t12-,13+/m0/s1
InChIKeyCMOMCGDWCFWPAB-QWHCGFSZSA-N
MW492.93 g/mol
LogP4.16
Rot. Bonds7

About 6-chloro-3-[(1S)-1-[[4-(5-methyltetrazol-1-yl)-1,3-oxazol-2-yl]amino]ethyl]-7-[(1R)-1-pyridin-2-ylethoxy]-1H-quinolin-2-one

6-chloro-3-[(1S)-1-[[4-(5-methyltetrazol-1-yl)-1,3-oxazol-2-yl]amino]ethyl]-7-[(1R)-1-pyridin-2-ylethoxy]-1H-quinolin-2-one (PubChem CID 122637701) has the molecular formula C23H21ClN8O3 and a molecular weight of 492.93 g/mol. Its IUPAC name is 6-chloro-3-[(1S)-1-[[4-(5-methyltetrazol-1-yl)-1,3-oxazol-2-yl]amino]ethyl]-7-[(1R)-1-pyridin-2-ylethoxy]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-chloro-3-[(1S)-1-[[4-(5-methyltetrazol-1-yl)-1,3-oxazol-2-yl]amino]ethyl]-7-[(1R)-1-pyridin-2-ylethoxy]-1H-quinolin-2-one
PubChem CID122637701
Molecular FormulaC23H21ClN8O3
Molecular Weight492.93 g/mol
Exact Mass492.14
IUPAC Name6-chloro-3-[(1S)-1-[[4-(5-methyltetrazol-1-yl)-1,3-oxazol-2-yl]amino]ethyl]-7-[(1R)-1-pyridin-2-ylethoxy]-1H-quinolin-2-one
SMILESCc1nnnn1-c1coc(N[C@@H](C)c2cc3cc(Cl)c(O[C@H](C)c4ccccn4)cc3[nH]c2=O)n1
InChIInChI=1S/C23H21ClN8O3/c1-12(26-23-28-21(11-34-23)32-14(3)29-30-31-32)16-8-15-9-17(24)20(10-19(15)27-22(16)33)35-13(2)18-6-4-5-7-25-18/h4-13H,1-3H3,(H,26,28)(H,27,33)/t12-,13+/m0/s1
InChIKeyCMOMCGDWCFWPAB-QWHCGFSZSA-N
XLogP4.16
TPSA136.64 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.93
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 6-chloro-3-[(1S)-1-[[4-(5-methyltetrazol-1-yl)-1,3-oxazol-2-yl]amino]ethyl]-7-[(1R)-1-pyridin-2-ylethoxy]-1H-quinolin-2-one with MolForge

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Related Compounds

6-chloro-7-methoxy-3-[(1S)-1-[[4-(5-methyltetrazol-1-yl)-1,3-oxazol-2-yl]amino]ethyl]-1H-quinolin-2-one
CID 122637599
6-chloro-3-[(1S)-1-[[4-(5-methyltetrazol-1-yl)pyrimidin-2-yl]amino]ethyl]-7-(pyridin-2-ylmethoxy)-1H-quinolin-2-one
CID 118953713
6-chloro-3-[(1S)-1-[[5-(5-methyltetrazol-1-yl)-1,3-thiazol-2-yl]amino]ethyl]-7-(pyridin-2-ylmethoxy)-1H-quinolin-2-one
CID 122637371
3-[2-[[(1S)-1-[6-chloro-2-oxo-7-[(1R)-1-pyridin-2-ylethoxy]-1H-quinolin-3-yl]ethyl]amino]-1,3-thiazol-5-yl]-1,3-oxazolidin-2-one
CID 122637678
6-chloro-7-methoxy-3-[1-[3-(5-methyltetrazol-1-yl)anilino]ethyl]-1H-quinolin-2-one
CID 135378403
N-[2-[1-(6-chloro-7-fluoro-2-oxo-1H-quinolin-3-yl)ethylamino]-1,3-oxazol-4-yl]acetamide
CID 122637401
6-chloro-7-(pyridin-2-ylmethoxy)-3-[(1S)-1-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]ethyl]-1H-quinolin-2-one
CID 122637462
N-[2-[[(1R)-1-(6-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-1,3-oxazol-4-yl]acetamide
CID 122637550
2-[1-[6-chloro-2-oxo-7-(pyridin-2-ylmethoxy)-1H-quinolin-3-yl]ethylamino]-4-methylpyrimidine-5-carbonitrile
CID 146222029
6-chloro-3-[(1S)-1-[3-(4-methylthiophen-3-yl)anilino]ethyl]-7-(pyridin-2-ylmethoxy)-1H-quinolin-2-one
CID 118955631
N-[3-[[(1S)-1-(6-chloro-2-oxo-7-propan-2-yloxy-1H-quinolin-3-yl)ethyl]amino]phenyl]acetamide
CID 118955578
N-[(1S)-1-[6-chloro-2-oxo-7-(pyridin-2-ylmethoxy)-1H-quinolin-3-yl]ethyl]-2,2,2-trifluoroacetamide
CID 118965796

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[(1S)-1-[[4-(5-methyltetrazol-1-yl)-1,3-oxazol-2-yl]amino]ethyl]-7-[(1R)-1-pyridin-2-ylethoxy]-1H-quinolin-2-one?
The IUPAC name of 6-chloro-3-[(1S)-1-[[4-(5-methyltetrazol-1-yl)-1,3-oxazol-2-yl]amino]ethyl]-7-[(1R)-1-pyridin-2-ylethoxy]-1H-quinolin-2-one (CID 122637701) is 6-chloro-3-[(1S)-1-[[4-(5-methyltetrazol-1-yl)-1,3-oxazol-2-yl]amino]ethyl]-7-[(1R)-1-pyridin-2-ylethoxy]-1H-quinolin-2-one.
What is the SMILES notation for 6-chloro-3-[(1S)-1-[[4-(5-methyltetrazol-1-yl)-1,3-oxazol-2-yl]amino]ethyl]-7-[(1R)-1-pyridin-2-ylethoxy]-1H-quinolin-2-one?
The canonical SMILES for 6-chloro-3-[(1S)-1-[[4-(5-methyltetrazol-1-yl)-1,3-oxazol-2-yl]amino]ethyl]-7-[(1R)-1-pyridin-2-ylethoxy]-1H-quinolin-2-one is Cc1nnnn1-c1coc(N[C@@H](C)c2cc3cc(Cl)c(O[C@H](C)c4ccccn4)cc3[nH]c2=O)n1.
What is the InChIKey of 6-chloro-3-[(1S)-1-[[4-(5-methyltetrazol-1-yl)-1,3-oxazol-2-yl]amino]ethyl]-7-[(1R)-1-pyridin-2-ylethoxy]-1H-quinolin-2-one?
The InChIKey is CMOMCGDWCFWPAB-QWHCGFSZSA-N. The full InChI is InChI=1S/C23H21ClN8O3/c1-12(26-23-28-21(11-34-23)32-14(3)29-30-31-32)16-8-15-9-17(24)20(10-19(15)27-22(16)33)35-13(2)18-6-4-5-7-25-18/h4-13H,1-3H3,(H,26,28)(H,27,33)/t12-,13+/m0/s1.
What are the key properties of 6-chloro-3-[(1S)-1-[[4-(5-methyltetrazol-1-yl)-1,3-oxazol-2-yl]amino]ethyl]-7-[(1R)-1-pyridin-2-ylethoxy]-1H-quinolin-2-one?
6-chloro-3-[(1S)-1-[[4-(5-methyltetrazol-1-yl)-1,3-oxazol-2-yl]amino]ethyl]-7-[(1R)-1-pyridin-2-ylethoxy]-1H-quinolin-2-one has a molecular weight of 492.93 g/mol, XLogP of 4.16, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[(1S)-1-[[4-(5-methyltetrazol-1-yl)-1,3-oxazol-2-yl]amino]ethyl]-7-[(1R)-1-pyridin-2-ylethoxy]-1H-quinolin-2-one is sourced from PubChem (CID 122637701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).