2-methoxy-N-[6-methoxy-2-oxo-4-(3-pyrazol-1-ylphenyl)-3,4-dihydro-1H-quinolin-7-yl]acetamide

C22H22N4O4 — CID 169414742

IUPAC2-methoxy-N-[6-methoxy-2-oxo-4-(3-pyrazol-1-ylphenyl)-3,4-dihydro-1H-quinolin-7-yl]acetamide
SMILESCOCC(=O)Nc1cc2c(cc1OC)C(c1cccc(-n3cccn3)c1)CC(=O)N2
InChIInChI=1S/C22H22N4O4/c1-29-13-22(28)25-19-12-18-17(10-20(19)30-2)16(11-21(27)24-18)14-5-3-6-15(9-14)26-8-4-7-23-26/h3-10,12,16H,11,13H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyUUINNRHFTWRWNM-UHFFFAOYSA-N
MW406.44 g/mol
LogP2.94
Rot. Bonds6

About 2-methoxy-N-[6-methoxy-2-oxo-4-(3-pyrazol-1-ylphenyl)-3,4-dihydro-1H-quinolin-7-yl]acetamide

2-methoxy-N-[6-methoxy-2-oxo-4-(3-pyrazol-1-ylphenyl)-3,4-dihydro-1H-quinolin-7-yl]acetamide (PubChem CID 169414742) has the molecular formula C22H22N4O4 and a molecular weight of 406.44 g/mol. Its IUPAC name is 2-methoxy-N-[6-methoxy-2-oxo-4-(3-pyrazol-1-ylphenyl)-3,4-dihydro-1H-quinolin-7-yl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[6-methoxy-2-oxo-4-(3-pyrazol-1-ylphenyl)-3,4-dihydro-1H-quinolin-7-yl]acetamide
PubChem CID169414742
Molecular FormulaC22H22N4O4
Molecular Weight406.44 g/mol
Exact Mass406.16
IUPAC Name2-methoxy-N-[6-methoxy-2-oxo-4-(3-pyrazol-1-ylphenyl)-3,4-dihydro-1H-quinolin-7-yl]acetamide
SMILESCOCC(=O)Nc1cc2c(cc1OC)C(c1cccc(-n3cccn3)c1)CC(=O)N2
InChIInChI=1S/C22H22N4O4/c1-29-13-22(28)25-19-12-18-17(10-20(19)30-2)16(11-21(27)24-18)14-5-3-6-15(9-14)26-8-4-7-23-26/h3-10,12,16H,11,13H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyUUINNRHFTWRWNM-UHFFFAOYSA-N
XLogP2.94
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxy-N-[6-methoxy-4-(1-methylpyrazol-4-yl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]acetamide
CID 169420804
(4R)-7-(2-methoxyethoxy)-4-(3-pyrazol-1-ylphenyl)-3,4-dihydro-1H-quinolin-2-one
CID 95127170
N-[4-(2-chloro-6-fluorophenyl)-6-methoxy-2-oxo-3,4-dihydro-1H-quinolin-7-yl]-2-methoxyacetamide
CID 169416411
N-[7-methoxy-4-(3-methylsulfanylphenyl)-2-oxo-3,4-dihydro-1H-quinolin-6-yl]propanamide
CID 169410752
2-methoxy-N-[(4S)-2-oxo-4-pyridin-3-yl-3,4-dihydro-1H-quinolin-7-yl]acetamide
CID 95127704
N-[4-(2-ethyl-1,2,4-triazol-3-yl)-6-methoxy-2-oxo-3,4-dihydro-1H-quinolin-7-yl]propanamide
CID 50982799
6,7-dimethoxy-4-phenyl-3,4-dihydro-1H-quinolin-2-one
CID 6624972
N-[6-methoxy-4-[2-(2-methylprop-2-enoxy)phenyl]-2-oxo-3,4-dihydro-1H-quinolin-7-yl]acetamide
CID 50959115
N-[7-methoxy-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinolin-6-yl]propanamide
CID 169416972
N-[(4R)-4-(2,1,3-benzothiadiazol-4-yl)-7-methoxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl]butanamide
CID 95147744
6,7-dimethoxy-4-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinolin-2-one
CID 2962899
6,7-dimethoxy-4-(3-nitrophenyl)-3,4-dihydro-1H-quinolin-2-one
CID 2939263

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[6-methoxy-2-oxo-4-(3-pyrazol-1-ylphenyl)-3,4-dihydro-1H-quinolin-7-yl]acetamide?
The IUPAC name of 2-methoxy-N-[6-methoxy-2-oxo-4-(3-pyrazol-1-ylphenyl)-3,4-dihydro-1H-quinolin-7-yl]acetamide (CID 169414742) is 2-methoxy-N-[6-methoxy-2-oxo-4-(3-pyrazol-1-ylphenyl)-3,4-dihydro-1H-quinolin-7-yl]acetamide.
What is the SMILES notation for 2-methoxy-N-[6-methoxy-2-oxo-4-(3-pyrazol-1-ylphenyl)-3,4-dihydro-1H-quinolin-7-yl]acetamide?
The canonical SMILES for 2-methoxy-N-[6-methoxy-2-oxo-4-(3-pyrazol-1-ylphenyl)-3,4-dihydro-1H-quinolin-7-yl]acetamide is COCC(=O)Nc1cc2c(cc1OC)C(c1cccc(-n3cccn3)c1)CC(=O)N2.
What is the InChIKey of 2-methoxy-N-[6-methoxy-2-oxo-4-(3-pyrazol-1-ylphenyl)-3,4-dihydro-1H-quinolin-7-yl]acetamide?
The InChIKey is UUINNRHFTWRWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O4/c1-29-13-22(28)25-19-12-18-17(10-20(19)30-2)16(11-21(27)24-18)14-5-3-6-15(9-14)26-8-4-7-23-26/h3-10,12,16H,11,13H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of 2-methoxy-N-[6-methoxy-2-oxo-4-(3-pyrazol-1-ylphenyl)-3,4-dihydro-1H-quinolin-7-yl]acetamide?
2-methoxy-N-[6-methoxy-2-oxo-4-(3-pyrazol-1-ylphenyl)-3,4-dihydro-1H-quinolin-7-yl]acetamide has a molecular weight of 406.44 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[6-methoxy-2-oxo-4-(3-pyrazol-1-ylphenyl)-3,4-dihydro-1H-quinolin-7-yl]acetamide is sourced from PubChem (CID 169414742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).