N-cyclopropyl-1-[(2R)-2-hex-5-enoxypropanoyl]pyrrolidine-2-carboxamide;N-cyclopropylsulfanylformamide;ethane;7-methoxy-8-methyl-2-(2-methylpyrazol-3-yl)-1H-quinolin-4-one

C38H56N6O6S — CID 143960560

IUPACN-cyclopropyl-1-[(2R)-2-hex-5-enoxypropanoyl]pyrrolidine-2-carboxamide;N-cyclopropylsulfanylformamide;ethane;7-methoxy-8-methyl-2-(2-methylpyrazol-3-yl)-1H-quinolin-4-one
SMILESC=CCCCCO[C@H](C)C(=O)N1CCCC1C(=O)NC1CC1.CC.COc1ccc2c(=O)cc(-c3ccnn3C)[nH]c2c1C.O=CNSC1CC1
InChIInChI=1S/C17H28N2O3.C15H15N3O2.C4H7NOS.C2H6/c1-3-4-5-6-12-22-13(2)17(21)19-11-7-8-15(19)16(20)18-14-9-10-14;1-9-14(20-3)5-4-10-13(19)8-11(17-15(9)10)12-6-7-16-18(12)2;6-3-5-7-4-1-2-4;1-2/h3,13-15H,1,4-12H2,2H3,(H,18,20);4-8H,1-3H3,(H,17,19);3-4H,1-2H2,(H,5,6);1-2H3/t13-,15?;;;/m1.../s1
InChIKeyXKQUQYPHULCEBV-KKZCUSTBSA-N
MW724.97 g/mol
LogP5.83
Rot. Bonds14

About N-cyclopropyl-1-[(2R)-2-hex-5-enoxypropanoyl]pyrrolidine-2-carboxamide;N-cyclopropylsulfanylformamide;ethane;7-methoxy-8-methyl-2-(2-methylpyrazol-3-yl)-1H-quinolin-4-one

N-cyclopropyl-1-[(2R)-2-hex-5-enoxypropanoyl]pyrrolidine-2-carboxamide;N-cyclopropylsulfanylformamide;ethane;7-methoxy-8-methyl-2-(2-methylpyrazol-3-yl)-1H-quinolin-4-one (PubChem CID 143960560) has the molecular formula C38H56N6O6S and a molecular weight of 724.97 g/mol. Its IUPAC name is N-cyclopropyl-1-[(2R)-2-hex-5-enoxypropanoyl]pyrrolidine-2-carboxamide;N-cyclopropylsulfanylformamide;ethane;7-methoxy-8-methyl-2-(2-methylpyrazol-3-yl)-1H-quinolin-4-one.

Molecular Properties

Compound NameN-cyclopropyl-1-[(2R)-2-hex-5-enoxypropanoyl]pyrrolidine-2-carboxamide;N-cyclopropylsulfanylformamide;ethane;7-methoxy-8-methyl-2-(2-methylpyrazol-3-yl)-1H-quinolin-4-one
PubChem CID143960560
Molecular FormulaC38H56N6O6S
Molecular Weight724.97 g/mol
Exact Mass724.40
IUPAC NameN-cyclopropyl-1-[(2R)-2-hex-5-enoxypropanoyl]pyrrolidine-2-carboxamide;N-cyclopropylsulfanylformamide;ethane;7-methoxy-8-methyl-2-(2-methylpyrazol-3-yl)-1H-quinolin-4-one
SMILESC=CCCCCO[C@H](C)C(=O)N1CCCC1C(=O)NC1CC1.CC.COc1ccc2c(=O)cc(-c3ccnn3C)[nH]c2c1C.O=CNSC1CC1
InChIInChI=1S/C17H28N2O3.C15H15N3O2.C4H7NOS.C2H6/c1-3-4-5-6-12-22-13(2)17(21)19-11-7-8-15(19)16(20)18-14-9-10-14;1-9-14(20-3)5-4-10-13(19)8-11(17-15(9)10)12-6-7-16-18(12)2;6-3-5-7-4-1-2-4;1-2/h3,13-15H,1,4-12H2,2H3,(H,18,20);4-8H,1-3H3,(H,17,19);3-4H,1-2H2,(H,5,6);1-2H3/t13-,15?;;;/m1.../s1
InChIKeyXKQUQYPHULCEBV-KKZCUSTBSA-N
XLogP5.83
TPSA147.65 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500724.97
LogP ≤ 55.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze N-cyclopropyl-1-[(2R)-2-hex-5-enoxypropanoyl]pyrrolidine-2-carboxamide;N-cyclopropylsulfanylformamide;ethane;7-methoxy-8-methyl-2-(2-methylpyrazol-3-yl)-1H-quinolin-4-one 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-cyclopropyl-1-[(2R)-2-hex-5-enoxypropanoyl]pyrrolidine-2-carboxamide;N-cyclopropylsulfanylformamide;ethane;7-methoxy-8-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1H-quinolin-4-one
CID 143960477
N-cyclopropyl-1-[(2R)-2-hex-5-enoxypropanoyl]pyrrolidine-2-carboxamide;ethane;7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one;N-phenylsulfanylformamide
CID 143960566
N-cyclopropyl-1-[(2R)-2-hex-5-enoxypropanoyl]pyrrolidine-2-carboxamide;N-cyclopropylsulfinylformamide;7-methoxy-8-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1H-quinolin-4-one
CID 143960578
N-cyclopropyl-1-[(2R)-2-hex-5-enoxypropanoyl]pyrrolidine-2-carboxamide;N-cyclopropylsulfanylformamide;7-methoxy-2-(3-methylpyrazol-1-yl)-1H-quinolin-4-one
CID 143960543
N-cyclopropyl-1-(2-hex-5-enoxy-2-methylpropanoyl)pyrrolidine-2-carboxamide;N-cyclopropylsulfinylformamide;7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one
CID 143960457
N-cyclopropyl-1-(2-hex-5-enoxyacetyl)pyrrolidine-2-carboxamide;N-cyclopropylsulfinylformamide;7,8-dimethyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one;ethane
CID 143960577
7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one;1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 143977735
(2S)-N-cyclopropyl-1-non-8-enoylpyrrolidine-2-carboxamide;2,2-dimethylpropane;ethane;ethene
CID 143671394
(2S)-2-but-3-enoxy-1-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one
CID 94806021
methyl N-ethenyl-7-methoxy-8-methyl-4-oxo-1H-quinoline-2-carboximidothioate
CID 143401243
N-cyclopropyl-1-[2-(3-fluorophenoxy)propanoyl]pyrrolidine-2-carboxamide
CID 86927916
(2S)-1-(2-anilinoacetyl)pyrrolidine-2-carboxamide;(1S)-N-cyclopropylsulfonyl-2-[(Z)-hept-1-enyl]cyclopropane-1-carboxamide;7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one
CID 143897915

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[(2R)-2-hex-5-enoxypropanoyl]pyrrolidine-2-carboxamide;N-cyclopropylsulfanylformamide;ethane;7-methoxy-8-methyl-2-(2-methylpyrazol-3-yl)-1H-quinolin-4-one?
The IUPAC name of N-cyclopropyl-1-[(2R)-2-hex-5-enoxypropanoyl]pyrrolidine-2-carboxamide;N-cyclopropylsulfanylformamide;ethane;7-methoxy-8-methyl-2-(2-methylpyrazol-3-yl)-1H-quinolin-4-one (CID 143960560) is N-cyclopropyl-1-[(2R)-2-hex-5-enoxypropanoyl]pyrrolidine-2-carboxamide;N-cyclopropylsulfanylformamide;ethane;7-methoxy-8-methyl-2-(2-methylpyrazol-3-yl)-1H-quinolin-4-one.
What is the SMILES notation for N-cyclopropyl-1-[(2R)-2-hex-5-enoxypropanoyl]pyrrolidine-2-carboxamide;N-cyclopropylsulfanylformamide;ethane;7-methoxy-8-methyl-2-(2-methylpyrazol-3-yl)-1H-quinolin-4-one?
The canonical SMILES for N-cyclopropyl-1-[(2R)-2-hex-5-enoxypropanoyl]pyrrolidine-2-carboxamide;N-cyclopropylsulfanylformamide;ethane;7-methoxy-8-methyl-2-(2-methylpyrazol-3-yl)-1H-quinolin-4-one is C=CCCCCO[C@H](C)C(=O)N1CCCC1C(=O)NC1CC1.CC.COc1ccc2c(=O)cc(-c3ccnn3C)[nH]c2c1C.O=CNSC1CC1.
What is the InChIKey of N-cyclopropyl-1-[(2R)-2-hex-5-enoxypropanoyl]pyrrolidine-2-carboxamide;N-cyclopropylsulfanylformamide;ethane;7-methoxy-8-methyl-2-(2-methylpyrazol-3-yl)-1H-quinolin-4-one?
The InChIKey is XKQUQYPHULCEBV-KKZCUSTBSA-N. The full InChI is InChI=1S/C17H28N2O3.C15H15N3O2.C4H7NOS.C2H6/c1-3-4-5-6-12-22-13(2)17(21)19-11-7-8-15(19)16(20)18-14-9-10-14;1-9-14(20-3)5-4-10-13(19)8-11(17-15(9)10)12-6-7-16-18(12)2;6-3-5-7-4-1-2-4;1-2/h3,13-15H,1,4-12H2,2H3,(H,18,20);4-8H,1-3H3,(H,17,19);3-4H,1-2H2,(H,5,6);1-2H3/t13-,15?;;;/m1.../s1.
What are the key properties of N-cyclopropyl-1-[(2R)-2-hex-5-enoxypropanoyl]pyrrolidine-2-carboxamide;N-cyclopropylsulfanylformamide;ethane;7-methoxy-8-methyl-2-(2-methylpyrazol-3-yl)-1H-quinolin-4-one?
N-cyclopropyl-1-[(2R)-2-hex-5-enoxypropanoyl]pyrrolidine-2-carboxamide;N-cyclopropylsulfanylformamide;ethane;7-methoxy-8-methyl-2-(2-methylpyrazol-3-yl)-1H-quinolin-4-one has a molecular weight of 724.97 g/mol, XLogP of 5.83, 14 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[(2R)-2-hex-5-enoxypropanoyl]pyrrolidine-2-carboxamide;N-cyclopropylsulfanylformamide;ethane;7-methoxy-8-methyl-2-(2-methylpyrazol-3-yl)-1H-quinolin-4-one is sourced from PubChem (CID 143960560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).