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

C39H57N5O6S2 — CID 143960577

IUPACN-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
SMILESC=CCCCCOCC(=O)N1CCCC1C(=O)NC1CC1.CC.Cc1ccc2c(=O)cc(-c3nc(C(C)C)cs3)[nH]c2c1C.O=CNS(=O)C1CC1
InChIInChI=1S/C17H18N2OS.C16H26N2O3.C4H7NO2S.C2H6/c1-9(2)14-8-21-17(19-14)13-7-15(20)12-6-5-10(3)11(4)16(12)18-13;1-2-3-4-5-11-21-12-15(19)18-10-6-7-14(18)16(20)17-13-8-9-13;6-3-5-8(7)4-1-2-4;1-2/h5-9H,1-4H3,(H,18,20);2,13-14H,1,3-12H2,(H,17,20);3-4H,1-2H2,(H,5,6);1-2H3
InChIKeyUJGSTJNYAHKLSZ-UHFFFAOYSA-N
MW756.05 g/mol
LogP6.61
Rot. Bonds14

About 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

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 (PubChem CID 143960577) has the molecular formula C39H57N5O6S2 and a molecular weight of 756.05 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-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
PubChem CID143960577
Molecular FormulaC39H57N5O6S2
Molecular Weight756.05 g/mol
Exact Mass755.38
IUPAC NameN-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
SMILESC=CCCCCOCC(=O)N1CCCC1C(=O)NC1CC1.CC.Cc1ccc2c(=O)cc(-c3nc(C(C)C)cs3)[nH]c2c1C.O=CNS(=O)C1CC1
InChIInChI=1S/C17H18N2OS.C16H26N2O3.C4H7NO2S.C2H6/c1-9(2)14-8-21-17(19-14)13-7-15(20)12-6-5-10(3)11(4)16(12)18-13;1-2-3-4-5-11-21-12-15(19)18-10-6-7-14(18)16(20)17-13-8-9-13;6-3-5-8(7)4-1-2-4;1-2/h5-9H,1-4H3,(H,18,20);2,13-14H,1,3-12H2,(H,17,20);3-4H,1-2H2,(H,5,6);1-2H3
InChIKeyUJGSTJNYAHKLSZ-UHFFFAOYSA-N
XLogP6.61
TPSA150.56 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500756.05
LogP ≤ 56.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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'}

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Related Compounds

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-[(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;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-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;N-cyclopropylsulfanylformamide;ethane;7-methoxy-8-methyl-2-(2-methylpyrazol-3-yl)-1H-quinolin-4-one
CID 143960560
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)-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
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-cyclopropylsulfonylformamide;7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one;N-[(1R,2S)-2-[(E)-6-[methyl(nitroso)amino]hex-1-enyl]cyclopropyl]cyclopentanecarboxamide
CID 145448986
(2S)-N-cyclopropyl-1-non-8-enoylpyrrolidine-2-carboxamide;2,2-dimethylpropane;ethane;ethene
CID 143671394
N-cyclopropyl-1-[2-(4-propan-2-ylphenoxy)acetyl]pyrrolidine-2-carboxamide
CID 86924418
N-cyclopropyl-1-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]pyrrolidine-2-carboxamide
CID 78857638

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=CCCCCOCC(=O)N1CCCC1C(=O)NC1CC1.CC.Cc1ccc2c(=O)cc(-c3nc(C(C)C)cs3)[nH]c2c1C.O=CNS(=O)C1CC1.
What is the InChIKey of 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?
The InChIKey is UJGSTJNYAHKLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS.C16H26N2O3.C4H7NO2S.C2H6/c1-9(2)14-8-21-17(19-14)13-7-15(20)12-6-5-10(3)11(4)16(12)18-13;1-2-3-4-5-11-21-12-15(19)18-10-6-7-14(18)16(20)17-13-8-9-13;6-3-5-8(7)4-1-2-4;1-2/h5-9H,1-4H3,(H,18,20);2,13-14H,1,3-12H2,(H,17,20);3-4H,1-2H2,(H,5,6);1-2H3.
What are the key properties of 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?
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 has a molecular weight of 756.05 g/mol, XLogP of 6.61, 14 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 143960577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).