CID 154597526

C12H12ClN2O2 — CID 154597526

IUPAC—
SMILESCOc1cc2[nH]c(=O)c([C@H](C)[NH])cc2cc1Cl
InChIInChI=1S/C12H12ClN2O2/c1-6(14)8-3-7-4-9(13)11(17-2)5-10(7)15-12(8)16/h3-6,14H,1-2H3,(H,15,16)/t6-/m0/s1
InChIKeyVOIWQQFFLMNVEK-LURJTMIESA-N
MW251.69 g/mol
LogP2.53
Rot. Bonds2

About CID 154597526

CID 154597526 (PubChem CID 154597526) has the molecular formula C12H12ClN2O2 and a molecular weight of 251.69 g/mol.

Molecular Properties

Compound NameCID 154597526
PubChem CID154597526
Molecular FormulaC12H12ClN2O2
Molecular Weight251.69 g/mol
Exact Mass251.06
IUPAC Name—
SMILESCOc1cc2[nH]c(=O)c([C@H](C)[NH])cc2cc1Cl
InChIInChI=1S/C12H12ClN2O2/c1-6(14)8-3-7-4-9(13)11(17-2)5-10(7)15-12(8)16/h3-6,14H,1-2H3,(H,15,16)/t6-/m0/s1
InChIKeyVOIWQQFFLMNVEK-LURJTMIESA-N
XLogP2.53
TPSA65.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.69
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6,7-dimethoxy-3-propan-2-yl-1H-quinolin-2-one
CID 154591387
methyl N-[3-[[(1S)-1-(6-chloro-7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]amino]phenyl]carbamate
CID 118955725
3-ethyl-7-methoxy-6-propan-2-yl-1H-quinolin-2-one
CID 154974543
2-[[(1S)-1-(6-chloro-7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]amino]-4-methoxy-1,3-thiazole-5-carbonitrile
CID 122637680
6-chloro-7-methoxy-1H-quinolin-2-one;hydrochloride
CID 172686181
carbon dioxide;5-chloro-6-methoxy-2-methyl-1H-indole
CID 161417002
6-chloro-7-methoxy-3-[(1S)-1-[[4-(3-methylimidazol-4-yl)pyrimidin-2-yl]amino]ethyl]-1H-quinolin-2-one
CID 118953545
6-chloro-7-(cyclobutylmethoxy)-3-propan-2-yl-1H-quinolin-2-one
CID 154591424
7-methoxy-3-propan-2-yl-6-(trifluoromethoxy)-1H-quinolin-2-one
CID 154974776
6-chloro-3-[1-[(4-imidazol-1-yl-2-pyridinyl)amino]ethyl]-7-methoxy-1H-quinolin-2-one
CID 134364024
6-chloro-7-methoxy-3-[1-[3-(5-methyltetrazol-1-yl)anilino]ethyl]-1H-quinolin-2-one
CID 135378403
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

Frequently Asked Questions

What is the IUPAC name of CID 154597526?
The IUPAC name of CID 154597526 (CID 154597526) is not available.
What is the SMILES notation for CID 154597526?
The canonical SMILES for CID 154597526 is COc1cc2[nH]c(=O)c([C@H](C)[NH])cc2cc1Cl.
What is the InChIKey of CID 154597526?
The InChIKey is VOIWQQFFLMNVEK-LURJTMIESA-N. The full InChI is InChI=1S/C12H12ClN2O2/c1-6(14)8-3-7-4-9(13)11(17-2)5-10(7)15-12(8)16/h3-6,14H,1-2H3,(H,15,16)/t6-/m0/s1.
What are the key properties of CID 154597526?
CID 154597526 has a molecular weight of 251.69 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 154597526 is sourced from PubChem (CID 154597526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).