(4R)-7-(2-methoxyethoxy)-4-(3-pyrazol-1-ylphenyl)-3,4-dihydro-1H-quinolin-2-one

C21H21N3O3 — CID 95127170

IUPAC(4R)-7-(2-methoxyethoxy)-4-(3-pyrazol-1-ylphenyl)-3,4-dihydro-1H-quinolin-2-one
SMILESCOCCOc1ccc2c(c1)NC(=O)C[C@@H]2c1cccc(-n2cccn2)c1
InChIInChI=1S/C21H21N3O3/c1-26-10-11-27-17-6-7-18-19(14-21(25)23-20(18)13-17)15-4-2-5-16(12-15)24-9-3-8-22-24/h2-9,12-13,19H,10-11,14H2,1H3,(H,23,25)/t19-/m1/s1
InChIKeyCQHYBEKQEBXCTF-LJQANCHMSA-N
MW363.42 g/mol
LogP3.37
Rot. Bonds6

About (4R)-7-(2-methoxyethoxy)-4-(3-pyrazol-1-ylphenyl)-3,4-dihydro-1H-quinolin-2-one

(4R)-7-(2-methoxyethoxy)-4-(3-pyrazol-1-ylphenyl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 95127170) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is (4R)-7-(2-methoxyethoxy)-4-(3-pyrazol-1-ylphenyl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name(4R)-7-(2-methoxyethoxy)-4-(3-pyrazol-1-ylphenyl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID95127170
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name(4R)-7-(2-methoxyethoxy)-4-(3-pyrazol-1-ylphenyl)-3,4-dihydro-1H-quinolin-2-one
SMILESCOCCOc1ccc2c(c1)NC(=O)C[C@@H]2c1cccc(-n2cccn2)c1
InChIInChI=1S/C21H21N3O3/c1-26-10-11-27-17-6-7-18-19(14-21(25)23-20(18)13-17)15-4-2-5-16(12-15)24-9-3-8-22-24/h2-9,12-13,19H,10-11,14H2,1H3,(H,23,25)/t19-/m1/s1
InChIKeyCQHYBEKQEBXCTF-LJQANCHMSA-N
XLogP3.37
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-N-[6-methoxy-2-oxo-4-(3-pyrazol-1-ylphenyl)-3,4-dihydro-1H-quinolin-7-yl]acetamide
CID 169414742
(4S)-4-(5-chlorothiophen-2-yl)-7-(2-methoxyethoxy)-3,4-dihydro-1H-quinolin-2-one
CID 95136942
7-(2-methoxyethoxy)-4-(3-methyl-1H-indol-2-yl)-3,4-dihydro-1H-quinolin-2-one
CID 50958678
4-[3-(2-methylpropoxy)phenyl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135633071
2-[3-[7-(dimethylamino)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]phenoxy]acetamide
CID 171386518
6,7-dimethoxy-4-[3-(3-morpholin-4-ylpropoxy)phenyl]-3,4-dihydro-1H-quinolin-2-one
CID 171389319
(4S)-4-(3-methoxyphenyl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136887725
2-methoxy-N-[(4S)-2-oxo-4-pyridin-3-yl-3,4-dihydro-1H-quinolin-7-yl]acetamide
CID 95127704
4-(1,3-benzodioxol-4-yl)-7-(2-ethoxyethoxy)-3,4-dihydro-1H-quinolin-2-one
CID 50953624
1-methyl-4-[3-(pyridin-3-ylmethoxy)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135632597
6-[3-(dimethylamino)propoxy]-4-phenyl-3,4-dihydro-1H-quinolin-2-one;hydrochloride
CID 131710541
(4S)-7-hydroxy-4-(4-methoxyphenyl)-3,4-dihydro-1H-quinolin-2-one
CID 95166951

Frequently Asked Questions

What is the IUPAC name of (4R)-7-(2-methoxyethoxy)-4-(3-pyrazol-1-ylphenyl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of (4R)-7-(2-methoxyethoxy)-4-(3-pyrazol-1-ylphenyl)-3,4-dihydro-1H-quinolin-2-one (CID 95127170) is (4R)-7-(2-methoxyethoxy)-4-(3-pyrazol-1-ylphenyl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for (4R)-7-(2-methoxyethoxy)-4-(3-pyrazol-1-ylphenyl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for (4R)-7-(2-methoxyethoxy)-4-(3-pyrazol-1-ylphenyl)-3,4-dihydro-1H-quinolin-2-one is COCCOc1ccc2c(c1)NC(=O)C[C@@H]2c1cccc(-n2cccn2)c1.
What is the InChIKey of (4R)-7-(2-methoxyethoxy)-4-(3-pyrazol-1-ylphenyl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is CQHYBEKQEBXCTF-LJQANCHMSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-26-10-11-27-17-6-7-18-19(14-21(25)23-20(18)13-17)15-4-2-5-16(12-15)24-9-3-8-22-24/h2-9,12-13,19H,10-11,14H2,1H3,(H,23,25)/t19-/m1/s1.
What are the key properties of (4R)-7-(2-methoxyethoxy)-4-(3-pyrazol-1-ylphenyl)-3,4-dihydro-1H-quinolin-2-one?
(4R)-7-(2-methoxyethoxy)-4-(3-pyrazol-1-ylphenyl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 363.42 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-7-(2-methoxyethoxy)-4-(3-pyrazol-1-ylphenyl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 95127170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).