4-[3-(2,5-dimethylphenyl)pyrazolidin-4-yl]-7-hydroxy-6-methoxy-3,4-dihydro-1H-quinolin-2-one

C21H25N3O3 — CID 75595407

IUPAC4-[3-(2,5-dimethylphenyl)pyrazolidin-4-yl]-7-hydroxy-6-methoxy-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1cc2c(cc1O)NC(=O)CC2C1CNNC1c1cc(C)ccc1C
InChIInChI=1S/C21H25N3O3/c1-11-4-5-12(2)13(6-11)21-16(10-22-24-21)14-8-20(26)23-17-9-18(25)19(27-3)7-15(14)17/h4-7,9,14,16,21-22,24-25H,8,10H2,1-3H3,(H,23,26)
InChIKeyJPKDJYOSJKECOQ-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.91
Rot. Bonds3

About 4-[3-(2,5-dimethylphenyl)pyrazolidin-4-yl]-7-hydroxy-6-methoxy-3,4-dihydro-1H-quinolin-2-one

4-[3-(2,5-dimethylphenyl)pyrazolidin-4-yl]-7-hydroxy-6-methoxy-3,4-dihydro-1H-quinolin-2-one (PubChem CID 75595407) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 4-[3-(2,5-dimethylphenyl)pyrazolidin-4-yl]-7-hydroxy-6-methoxy-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name4-[3-(2,5-dimethylphenyl)pyrazolidin-4-yl]-7-hydroxy-6-methoxy-3,4-dihydro-1H-quinolin-2-one
PubChem CID75595407
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name4-[3-(2,5-dimethylphenyl)pyrazolidin-4-yl]-7-hydroxy-6-methoxy-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1cc2c(cc1O)NC(=O)CC2C1CNNC1c1cc(C)ccc1C
InChIInChI=1S/C21H25N3O3/c1-11-4-5-12(2)13(6-11)21-16(10-22-24-21)14-8-20(26)23-17-9-18(25)19(27-3)7-15(14)17/h4-7,9,14,16,21-22,24-25H,8,10H2,1-3H3,(H,23,26)
InChIKeyJPKDJYOSJKECOQ-UHFFFAOYSA-N
XLogP2.91
TPSA82.62 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 4-[3-(2,5-dimethylphenyl)pyrazolidin-4-yl]-7-hydroxy-6-methoxy-3,4-dihydro-1H-quinolin-2-one with MolForge

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Related Compounds

9-[3-(2,5-dimethylphenyl)pyrazolidin-4-yl]-1,6,8,9-tetrahydropyrido[3,2-g][1,4]benzoxazine-2,7-dione
CID 75588310
4-[3-(4-fluorophenyl)pyrazolidin-4-yl]-7-hydroxy-6-methyl-3,4-dihydro-1H-quinolin-2-one
CID 75592833
(4S)-4-(3,5-dimethyl-1-benzofuran-2-yl)-7-hydroxy-6-methoxy-3,4-dihydro-1H-quinolin-2-one
CID 95146960
6,7-dimethoxy-4-piperidin-4-yl-3,4-dihydro-1H-quinolin-2-one
CID 50979859
3-[(4S)-7-hydroxy-6-methyl-2-oxo-3,4-dihydro-1H-quinolin-4-yl]-6-methoxy-1H-quinolin-2-one
CID 95138160
4-(2-chlorophenyl)-7-methoxy-6-methyl-3,4-dihydro-1H-quinolin-2-one
CID 169419884
N-[(2R,4S,6S)-2-[3-(2,5-dimethylphenyl)pyrazolidin-4-yl]-6-propan-2-yloxan-4-yl]acetamide
CID 133127963
4-(2-methoxy-5-methylphenyl)azetidin-2-one
CID 66350975
methyl 2-[2-[(4S)-6-hydroxy-7-methoxy-2-oxo-3,4-dihydro-1H-quinolin-4-yl]phenoxy]acetate
CID 95122054
(4S)-6,7-dimethoxy-4-(3-methylthiophen-2-yl)-3,4-dihydro-1H-quinolin-2-one
CID 1257780
4-(2-bromo-4,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 2955307
4-(2,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 3610231

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,5-dimethylphenyl)pyrazolidin-4-yl]-7-hydroxy-6-methoxy-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 4-[3-(2,5-dimethylphenyl)pyrazolidin-4-yl]-7-hydroxy-6-methoxy-3,4-dihydro-1H-quinolin-2-one (CID 75595407) is 4-[3-(2,5-dimethylphenyl)pyrazolidin-4-yl]-7-hydroxy-6-methoxy-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 4-[3-(2,5-dimethylphenyl)pyrazolidin-4-yl]-7-hydroxy-6-methoxy-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 4-[3-(2,5-dimethylphenyl)pyrazolidin-4-yl]-7-hydroxy-6-methoxy-3,4-dihydro-1H-quinolin-2-one is COc1cc2c(cc1O)NC(=O)CC2C1CNNC1c1cc(C)ccc1C.
What is the InChIKey of 4-[3-(2,5-dimethylphenyl)pyrazolidin-4-yl]-7-hydroxy-6-methoxy-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is JPKDJYOSJKECOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-11-4-5-12(2)13(6-11)21-16(10-22-24-21)14-8-20(26)23-17-9-18(25)19(27-3)7-15(14)17/h4-7,9,14,16,21-22,24-25H,8,10H2,1-3H3,(H,23,26).
What are the key properties of 4-[3-(2,5-dimethylphenyl)pyrazolidin-4-yl]-7-hydroxy-6-methoxy-3,4-dihydro-1H-quinolin-2-one?
4-[3-(2,5-dimethylphenyl)pyrazolidin-4-yl]-7-hydroxy-6-methoxy-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 367.45 g/mol, XLogP of 2.91, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,5-dimethylphenyl)pyrazolidin-4-yl]-7-hydroxy-6-methoxy-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 75595407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).