6-chloro-3-[[3-methoxy-4-(tetrazol-1-yl)anilino]methyl]-1-methylquinolin-2-one

C19H17ClN6O2 — CID 155548685

IUPAC6-chloro-3-[[3-methoxy-4-(tetrazol-1-yl)anilino]methyl]-1-methylquinolin-2-one
SMILESCOc1cc(NCc2cc3cc(Cl)ccc3n(C)c2=O)ccc1-n1cnnn1
InChIInChI=1S/C19H17ClN6O2/c1-25-16-5-3-14(20)8-12(16)7-13(19(25)27)10-21-15-4-6-17(18(9-15)28-2)26-11-22-23-24-26/h3-9,11,21H,10H2,1-2H3
InChIKeyZYRBLUKZNNSUGM-UHFFFAOYSA-N
MW396.84 g/mol
LogP2.79
Rot. Bonds5

About 6-chloro-3-[[3-methoxy-4-(tetrazol-1-yl)anilino]methyl]-1-methylquinolin-2-one

6-chloro-3-[[3-methoxy-4-(tetrazol-1-yl)anilino]methyl]-1-methylquinolin-2-one (PubChem CID 155548685) has the molecular formula C19H17ClN6O2 and a molecular weight of 396.84 g/mol. Its IUPAC name is 6-chloro-3-[[3-methoxy-4-(tetrazol-1-yl)anilino]methyl]-1-methylquinolin-2-one.

Molecular Properties

Compound Name6-chloro-3-[[3-methoxy-4-(tetrazol-1-yl)anilino]methyl]-1-methylquinolin-2-one
PubChem CID155548685
Molecular FormulaC19H17ClN6O2
Molecular Weight396.84 g/mol
Exact Mass396.11
IUPAC Name6-chloro-3-[[3-methoxy-4-(tetrazol-1-yl)anilino]methyl]-1-methylquinolin-2-one
SMILESCOc1cc(NCc2cc3cc(Cl)ccc3n(C)c2=O)ccc1-n1cnnn1
InChIInChI=1S/C19H17ClN6O2/c1-25-16-5-3-14(20)8-12(16)7-13(19(25)27)10-21-15-4-6-17(18(9-15)28-2)26-11-22-23-24-26/h3-9,11,21H,10H2,1-2H3
InChIKeyZYRBLUKZNNSUGM-UHFFFAOYSA-N
XLogP2.79
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.84
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-chloro-3-[[3-methoxy-4-(tetrazol-1-yl)anilino]methyl]-1-methylquinolin-2-one with MolForge

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Related Compounds

3-[[3-methoxy-4-(tetrazol-1-yl)anilino]methyl]-6,7-dimethyl-1H-quinolin-2-one
CID 46952127
3-[[3-methoxy-4-(tetrazol-1-yl)anilino]methyl]-1H-quinolin-2-one
CID 46958630
3-[[3-methoxy-4-(tetrazol-1-yl)anilino]methyl]-6-methyl-1H-quinolin-2-one
CID 46958631
6-chloro-3-[[3-methoxy-4-(tetrazol-1-yl)anilino]methyl]-1H-quinolin-2-one
CID 118955601
3-[[3-methoxy-4-(tetrazol-1-yl)anilino]methyl]-7-methyl-1H-quinolin-2-one
CID 118955638
6-chloro-3-({[3-methoxy-4-(1H-1,2,3,4-tetrazol-1-
CID 145866767
2-[(4-chlorophenyl)methylamino]-N-[3-methoxy-4-(tetrazol-1-yl)phenyl]acetamide
CID 1439927
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 59708555
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[3-methoxy-4-(tetrazol-1-yl)anilino]acetamide
CID 59708687
6-chloro-7-fluoro-3-[(1S)-1-[3-methoxy-4-(tetrazol-1-yl)anilino]ethyl]-1H-quinolin-2-one
CID 118955616
6-chloro-7-fluoro-3-[1-[3-methoxy-4-(tetrazol-1-yl)anilino]ethyl]-1H-quinolin-2-one
CID 135378252
8-chloro-7-fluoro-3-[(1S)-1-[3-methoxy-4-(tetrazol-1-yl)anilino]ethyl]-1H-quinolin-2-one
CID 135378413

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[[3-methoxy-4-(tetrazol-1-yl)anilino]methyl]-1-methylquinolin-2-one?
The IUPAC name of 6-chloro-3-[[3-methoxy-4-(tetrazol-1-yl)anilino]methyl]-1-methylquinolin-2-one (CID 155548685) is 6-chloro-3-[[3-methoxy-4-(tetrazol-1-yl)anilino]methyl]-1-methylquinolin-2-one.
What is the SMILES notation for 6-chloro-3-[[3-methoxy-4-(tetrazol-1-yl)anilino]methyl]-1-methylquinolin-2-one?
The canonical SMILES for 6-chloro-3-[[3-methoxy-4-(tetrazol-1-yl)anilino]methyl]-1-methylquinolin-2-one is COc1cc(NCc2cc3cc(Cl)ccc3n(C)c2=O)ccc1-n1cnnn1.
What is the InChIKey of 6-chloro-3-[[3-methoxy-4-(tetrazol-1-yl)anilino]methyl]-1-methylquinolin-2-one?
The InChIKey is ZYRBLUKZNNSUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN6O2/c1-25-16-5-3-14(20)8-12(16)7-13(19(25)27)10-21-15-4-6-17(18(9-15)28-2)26-11-22-23-24-26/h3-9,11,21H,10H2,1-2H3.
What are the key properties of 6-chloro-3-[[3-methoxy-4-(tetrazol-1-yl)anilino]methyl]-1-methylquinolin-2-one?
6-chloro-3-[[3-methoxy-4-(tetrazol-1-yl)anilino]methyl]-1-methylquinolin-2-one has a molecular weight of 396.84 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[[3-methoxy-4-(tetrazol-1-yl)anilino]methyl]-1-methylquinolin-2-one is sourced from PubChem (CID 155548685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).