6-chloro-7-methoxy-3-[1-[3-(5-methyltetrazol-1-yl)anilino]ethyl]-1H-quinolin-2-one

C20H19ClN6O2 — CID 135378403

IUPAC6-chloro-7-methoxy-3-[1-[3-(5-methyltetrazol-1-yl)anilino]ethyl]-1H-quinolin-2-one
SMILESCOc1cc2[nH]c(=O)c(C(C)Nc3cccc(-n4nnnc4C)c3)cc2cc1Cl
InChIInChI=1S/C20H19ClN6O2/c1-11(22-14-5-4-6-15(9-14)27-12(2)24-25-26-27)16-7-13-8-17(21)19(29-3)10-18(13)23-20(16)28/h4-11,22H,1-3H3,(H,23,28)
InChIKeyCZZKWGBVUIZBKW-UHFFFAOYSA-N
MW410.87 g/mol
LogP3.65
Rot. Bonds5

About 6-chloro-7-methoxy-3-[1-[3-(5-methyltetrazol-1-yl)anilino]ethyl]-1H-quinolin-2-one

6-chloro-7-methoxy-3-[1-[3-(5-methyltetrazol-1-yl)anilino]ethyl]-1H-quinolin-2-one (PubChem CID 135378403) has the molecular formula C20H19ClN6O2 and a molecular weight of 410.87 g/mol. Its IUPAC name is 6-chloro-7-methoxy-3-[1-[3-(5-methyltetrazol-1-yl)anilino]ethyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-chloro-7-methoxy-3-[1-[3-(5-methyltetrazol-1-yl)anilino]ethyl]-1H-quinolin-2-one
PubChem CID135378403
Molecular FormulaC20H19ClN6O2
Molecular Weight410.87 g/mol
Exact Mass410.13
IUPAC Name6-chloro-7-methoxy-3-[1-[3-(5-methyltetrazol-1-yl)anilino]ethyl]-1H-quinolin-2-one
SMILESCOc1cc2[nH]c(=O)c(C(C)Nc3cccc(-n4nnnc4C)c3)cc2cc1Cl
InChIInChI=1S/C20H19ClN6O2/c1-11(22-14-5-4-6-15(9-14)27-12(2)24-25-26-27)16-7-13-8-17(21)19(29-3)10-18(13)23-20(16)28/h4-11,22H,1-3H3,(H,23,28)
InChIKeyCZZKWGBVUIZBKW-UHFFFAOYSA-N
XLogP3.65
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.87
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-chloro-7-methoxy-3-[1-[3-(5-methyltetrazol-1-yl)anilino]ethyl]-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
methyl N-[3-[[(1S)-1-(6-chloro-7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]amino]phenyl]carbamate
CID 118955725
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
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
N-[3-[[(1S)-1-(6-chloro-2-oxo-7-propan-2-yloxy-1H-quinolin-3-yl)ethyl]amino]phenyl]acetamide
CID 118955578
[3-[[(1S)-1-(6-chloro-2-oxo-7-propan-2-yloxy-1H-quinolin-3-yl)ethyl]amino]phenyl]-methylcarbamic acid
CID 135377920
6-chloro-3-[1-[3-(3-methylimidazol-4-yl)anilino]ethyl]-7-propan-2-yloxy-1H-quinolin-2-one
CID 135378474
6-chloro-3-[1-[(4-imidazol-1-yl-2-pyridinyl)amino]ethyl]-7-methoxy-1H-quinolin-2-one
CID 134364024
CID 154597526
CID 154597526
N-[1-(5-chlorothiophen-3-yl)ethyl]-3-(5-methyltetrazol-1-yl)aniline
CID 102976943
3-[1-(6-chloro-7-fluoro-2-oxo-1H-quinolin-3-yl)ethylamino]benzamide
CID 135378436

Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-methoxy-3-[1-[3-(5-methyltetrazol-1-yl)anilino]ethyl]-1H-quinolin-2-one?
The IUPAC name of 6-chloro-7-methoxy-3-[1-[3-(5-methyltetrazol-1-yl)anilino]ethyl]-1H-quinolin-2-one (CID 135378403) is 6-chloro-7-methoxy-3-[1-[3-(5-methyltetrazol-1-yl)anilino]ethyl]-1H-quinolin-2-one.
What is the SMILES notation for 6-chloro-7-methoxy-3-[1-[3-(5-methyltetrazol-1-yl)anilino]ethyl]-1H-quinolin-2-one?
The canonical SMILES for 6-chloro-7-methoxy-3-[1-[3-(5-methyltetrazol-1-yl)anilino]ethyl]-1H-quinolin-2-one is COc1cc2[nH]c(=O)c(C(C)Nc3cccc(-n4nnnc4C)c3)cc2cc1Cl.
What is the InChIKey of 6-chloro-7-methoxy-3-[1-[3-(5-methyltetrazol-1-yl)anilino]ethyl]-1H-quinolin-2-one?
The InChIKey is CZZKWGBVUIZBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN6O2/c1-11(22-14-5-4-6-15(9-14)27-12(2)24-25-26-27)16-7-13-8-17(21)19(29-3)10-18(13)23-20(16)28/h4-11,22H,1-3H3,(H,23,28).
What are the key properties of 6-chloro-7-methoxy-3-[1-[3-(5-methyltetrazol-1-yl)anilino]ethyl]-1H-quinolin-2-one?
6-chloro-7-methoxy-3-[1-[3-(5-methyltetrazol-1-yl)anilino]ethyl]-1H-quinolin-2-one has a molecular weight of 410.87 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-methoxy-3-[1-[3-(5-methyltetrazol-1-yl)anilino]ethyl]-1H-quinolin-2-one is sourced from PubChem (CID 135378403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).