(3R)-3-(3,5-dimethylpyrazol-1-yl)-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-8-yl)pyrrolidine-1-carboxamide

C19H22FN5O2 — CID 126432771

IUPAC(3R)-3-(3,5-dimethylpyrazol-1-yl)-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-8-yl)pyrrolidine-1-carboxamide
SMILESCc1cc(C)n([C@@H]2CCN(C(=O)Nc3cc(F)cc4c3NC(=O)CC4)C2)n1
InChIInChI=1S/C19H22FN5O2/c1-11-7-12(2)25(23-11)15-5-6-24(10-15)19(27)21-16-9-14(20)8-13-3-4-17(26)22-18(13)16/h7-9,15H,3-6,10H2,1-2H3,(H,21,27)(H,22,26)/t15-/m1/s1
InChIKeyGGEUMXDVEGDUAM-OAHLLOKOSA-N
MW371.42 g/mol
LogP3.00
Rot. Bonds2

About (3R)-3-(3,5-dimethylpyrazol-1-yl)-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-8-yl)pyrrolidine-1-carboxamide

(3R)-3-(3,5-dimethylpyrazol-1-yl)-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-8-yl)pyrrolidine-1-carboxamide (PubChem CID 126432771) has the molecular formula C19H22FN5O2 and a molecular weight of 371.42 g/mol. Its IUPAC name is (3R)-3-(3,5-dimethylpyrazol-1-yl)-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-8-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-(3,5-dimethylpyrazol-1-yl)-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-8-yl)pyrrolidine-1-carboxamide
PubChem CID126432771
Molecular FormulaC19H22FN5O2
Molecular Weight371.42 g/mol
Exact Mass371.18
IUPAC Name(3R)-3-(3,5-dimethylpyrazol-1-yl)-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-8-yl)pyrrolidine-1-carboxamide
SMILESCc1cc(C)n([C@@H]2CCN(C(=O)Nc3cc(F)cc4c3NC(=O)CC4)C2)n1
InChIInChI=1S/C19H22FN5O2/c1-11-7-12(2)25(23-11)15-5-6-24(10-15)19(27)21-16-9-14(20)8-13-3-4-17(26)22-18(13)16/h7-9,15H,3-6,10H2,1-2H3,(H,21,27)(H,22,26)/t15-/m1/s1
InChIKeyGGEUMXDVEGDUAM-OAHLLOKOSA-N
XLogP3.00
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R)-3-(3,5-dimethylpyrazol-1-yl)-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-8-yl)pyrrolidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-8-yl)-4-methyl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 72839739
(3aR,6aS)-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-8-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxamide;hydrochloride
CID 154900986
N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-8-yl)-3-pyrimidin-4-ylpiperidine-1-carboxamide
CID 72872019
(3R)-3-(3,5-dimethylpyrazol-1-yl)-N-(3-oxo-4H-1,4-benzoxazin-7-yl)pyrrolidine-1-carboxamide
CID 97456253
3-(3,5-dimethylpyrazol-1-yl)-N-(2-methyl-5-sulfamoylphenyl)pyrrolidine-1-carboxamide
CID 72890884
1-[4-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-1-carbonyl]phenyl]imidazolidine-2,4-dione
CID 72895809
(3S)-N-(1,2-benzoxazol-6-yl)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-1-carboxamide
CID 97436775
(3S)-3-(3,5-dimethylpyrazol-1-yl)-N-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidine-1-carboxamide
CID 125161273
6-[(3S)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione
CID 97284744
1-[2-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-2-oxoethyl]-3,4-dihydroquinolin-2-one
CID 97271132
(3R)-3-(3,5-dimethylpyrazol-1-yl)-N-(4-phenylthiadiazol-5-yl)pyrrolidine-1-carboxamide
CID 97435687
N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-8-yl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide
CID 70787728

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3,5-dimethylpyrazol-1-yl)-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-8-yl)pyrrolidine-1-carboxamide?
The IUPAC name of (3R)-3-(3,5-dimethylpyrazol-1-yl)-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-8-yl)pyrrolidine-1-carboxamide (CID 126432771) is (3R)-3-(3,5-dimethylpyrazol-1-yl)-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-8-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-3-(3,5-dimethylpyrazol-1-yl)-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-8-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-3-(3,5-dimethylpyrazol-1-yl)-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-8-yl)pyrrolidine-1-carboxamide is Cc1cc(C)n([C@@H]2CCN(C(=O)Nc3cc(F)cc4c3NC(=O)CC4)C2)n1.
What is the InChIKey of (3R)-3-(3,5-dimethylpyrazol-1-yl)-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-8-yl)pyrrolidine-1-carboxamide?
The InChIKey is GGEUMXDVEGDUAM-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H22FN5O2/c1-11-7-12(2)25(23-11)15-5-6-24(10-15)19(27)21-16-9-14(20)8-13-3-4-17(26)22-18(13)16/h7-9,15H,3-6,10H2,1-2H3,(H,21,27)(H,22,26)/t15-/m1/s1.
What are the key properties of (3R)-3-(3,5-dimethylpyrazol-1-yl)-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-8-yl)pyrrolidine-1-carboxamide?
(3R)-3-(3,5-dimethylpyrazol-1-yl)-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-8-yl)pyrrolidine-1-carboxamide has a molecular weight of 371.42 g/mol, XLogP of 3.00, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3,5-dimethylpyrazol-1-yl)-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-8-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 126432771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).