7-(bromomethyl)-4-(4-fluorophenyl)quinoline-2-carbonitrile;4-(4-fluorophenyl)-7-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]quinoline-2-carbonitrile;4-(4-fluorophenyl)-7-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-methylquinoline-2-carbonitrile;1-methylimidazolidine-2,4-dione

C80H59BrF4N14O7 — CID 159079029

IUPAC7-(bromomethyl)-4-(4-fluorophenyl)quinoline-2-carbonitrile;4-(4-fluorophenyl)-7-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]quinoline-2-carbonitrile;4-(4-fluorophenyl)-7-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-methylquinoline-2-carbonitrile;1-methylimidazolidine-2,4-dione
SMILESCN1CC(=O)N(Cc2ccc3c(-c4ccc(F)cc4)cc(C#N)nc3c2)C1=O.CN1CC(=O)N(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)C1=O.CN1CC(=O)NC1=O.Cc1ccc2c(-c3ccc(F)cc3)cc(C#N)nc2c1.N#Cc1cc(-c2ccc(F)cc2)c2ccc(CBr)cc2n1
InChIInChI=1S/C21H17FN4O3.C21H15FN4O2.C17H10BrFN2.C17H11FN2.C4H6N2O2/c1-25-11-19(27)26(21(25)29)10-12-2-7-15-16(13-3-5-14(22)6-4-13)9-18(20(23)28)24-17(15)8-12;1-25-12-20(27)26(21(25)28)11-13-2-7-17-18(14-3-5-15(22)6-4-14)9-16(10-23)24-19(17)8-13;18-9-11-1-6-15-16(12-2-4-13(19)5-3-12)8-14(10-20)21-17(15)7-11;1-11-2-7-15-16(12-3-5-13(18)6-4-12)9-14(10-19)20-17(15)8-11;1-6-2-3(7)5-4(6)8/h2-9H,10-11H2,1H3,(H2,23,28);2-9H,11-12H2,1H3;1-8H,9H2;2-9H,1H3;2H2,1H3,(H,5,7,8)
InChIKeyKAPVDIDKHRIBDN-UHFFFAOYSA-N
MW1484.34 g/mol
LogP14.04
Rot. Bonds10

About 7-(bromomethyl)-4-(4-fluorophenyl)quinoline-2-carbonitrile;4-(4-fluorophenyl)-7-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]quinoline-2-carbonitrile;4-(4-fluorophenyl)-7-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-methylquinoline-2-carbonitrile;1-methylimidazolidine-2,4-dione

7-(bromomethyl)-4-(4-fluorophenyl)quinoline-2-carbonitrile;4-(4-fluorophenyl)-7-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]quinoline-2-carbonitrile;4-(4-fluorophenyl)-7-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-methylquinoline-2-carbonitrile;1-methylimidazolidine-2,4-dione (PubChem CID 159079029) has the molecular formula C80H59BrF4N14O7 and a molecular weight of 1484.34 g/mol. Its IUPAC name is 7-(bromomethyl)-4-(4-fluorophenyl)quinoline-2-carbonitrile;4-(4-fluorophenyl)-7-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]quinoline-2-carbonitrile;4-(4-fluorophenyl)-7-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-methylquinoline-2-carbonitrile;1-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name7-(bromomethyl)-4-(4-fluorophenyl)quinoline-2-carbonitrile;4-(4-fluorophenyl)-7-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]quinoline-2-carbonitrile;4-(4-fluorophenyl)-7-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-methylquinoline-2-carbonitrile;1-methylimidazolidine-2,4-dione
PubChem CID159079029
Molecular FormulaC80H59BrF4N14O7
Molecular Weight1484.34 g/mol
Exact Mass1482.38
IUPAC Name7-(bromomethyl)-4-(4-fluorophenyl)quinoline-2-carbonitrile;4-(4-fluorophenyl)-7-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]quinoline-2-carbonitrile;4-(4-fluorophenyl)-7-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-methylquinoline-2-carbonitrile;1-methylimidazolidine-2,4-dione
SMILESCN1CC(=O)N(Cc2ccc3c(-c4ccc(F)cc4)cc(C#N)nc3c2)C1=O.CN1CC(=O)N(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)C1=O.CN1CC(=O)NC1=O.Cc1ccc2c(-c3ccc(F)cc3)cc(C#N)nc2c1.N#Cc1cc(-c2ccc(F)cc2)c2ccc(CBr)cc2n1
InChIInChI=1S/C21H17FN4O3.C21H15FN4O2.C17H10BrFN2.C17H11FN2.C4H6N2O2/c1-25-11-19(27)26(21(25)29)10-12-2-7-15-16(13-3-5-14(22)6-4-13)9-18(20(23)28)24-17(15)8-12;1-25-12-20(27)26(21(25)28)11-13-2-7-17-18(14-3-5-15(22)6-4-14)9-16(10-23)24-19(17)8-13;18-9-11-1-6-15-16(12-2-4-13(19)5-3-12)8-14(10-20)21-17(15)7-11;1-11-2-7-15-16(12-3-5-13(18)6-4-12)9-14(10-19)20-17(15)8-11;1-6-2-3(7)5-4(6)8/h2-9H,10-11H2,1H3,(H2,23,28);2-9H,11-12H2,1H3;1-8H,9H2;2-9H,1H3;2H2,1H3,(H,5,7,8)
InChIKeyKAPVDIDKHRIBDN-UHFFFAOYSA-N
XLogP14.04
TPSA296.67 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds10
Heavy Atoms106
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001484.34
LogP ≤ 514.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 7-(bromomethyl)-4-(4-fluorophenyl)quinoline-2-carbonitrile;4-(4-fluorophenyl)-7-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]quinoline-2-carbonitrile;4-(4-fluorophenyl)-7-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-methylquinoline-2-carbonitrile;1-methylimidazolidine-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-(bromomethyl)-4-(4-fluorophenyl)quinoline-2-carbonitrile;4-(4-fluorophenyl)-7-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]quinoline-2-carbonitrile;4-(4-fluorophenyl)-7-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-methylquinoline-2-carbonitrile;1-methylimidazolidine-2,4-dione?
The IUPAC name of 7-(bromomethyl)-4-(4-fluorophenyl)quinoline-2-carbonitrile;4-(4-fluorophenyl)-7-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]quinoline-2-carbonitrile;4-(4-fluorophenyl)-7-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-methylquinoline-2-carbonitrile;1-methylimidazolidine-2,4-dione (CID 159079029) is 7-(bromomethyl)-4-(4-fluorophenyl)quinoline-2-carbonitrile;4-(4-fluorophenyl)-7-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]quinoline-2-carbonitrile;4-(4-fluorophenyl)-7-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-methylquinoline-2-carbonitrile;1-methylimidazolidine-2,4-dione.
What is the SMILES notation for 7-(bromomethyl)-4-(4-fluorophenyl)quinoline-2-carbonitrile;4-(4-fluorophenyl)-7-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]quinoline-2-carbonitrile;4-(4-fluorophenyl)-7-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-methylquinoline-2-carbonitrile;1-methylimidazolidine-2,4-dione?
The canonical SMILES for 7-(bromomethyl)-4-(4-fluorophenyl)quinoline-2-carbonitrile;4-(4-fluorophenyl)-7-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]quinoline-2-carbonitrile;4-(4-fluorophenyl)-7-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-methylquinoline-2-carbonitrile;1-methylimidazolidine-2,4-dione is CN1CC(=O)N(Cc2ccc3c(-c4ccc(F)cc4)cc(C#N)nc3c2)C1=O.CN1CC(=O)N(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)C1=O.CN1CC(=O)NC1=O.Cc1ccc2c(-c3ccc(F)cc3)cc(C#N)nc2c1.N#Cc1cc(-c2ccc(F)cc2)c2ccc(CBr)cc2n1.
What is the InChIKey of 7-(bromomethyl)-4-(4-fluorophenyl)quinoline-2-carbonitrile;4-(4-fluorophenyl)-7-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]quinoline-2-carbonitrile;4-(4-fluorophenyl)-7-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-methylquinoline-2-carbonitrile;1-methylimidazolidine-2,4-dione?
The InChIKey is KAPVDIDKHRIBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O3.C21H15FN4O2.C17H10BrFN2.C17H11FN2.C4H6N2O2/c1-25-11-19(27)26(21(25)29)10-12-2-7-15-16(13-3-5-14(22)6-4-13)9-18(20(23)28)24-17(15)8-12;1-25-12-20(27)26(21(25)28)11-13-2-7-17-18(14-3-5-15(22)6-4-14)9-16(10-23)24-19(17)8-13;18-9-11-1-6-15-16(12-2-4-13(19)5-3-12)8-14(10-20)21-17(15)7-11;1-11-2-7-15-16(12-3-5-13(18)6-4-12)9-14(10-19)20-17(15)8-11;1-6-2-3(7)5-4(6)8/h2-9H,10-11H2,1H3,(H2,23,28);2-9H,11-12H2,1H3;1-8H,9H2;2-9H,1H3;2H2,1H3,(H,5,7,8).
What are the key properties of 7-(bromomethyl)-4-(4-fluorophenyl)quinoline-2-carbonitrile;4-(4-fluorophenyl)-7-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]quinoline-2-carbonitrile;4-(4-fluorophenyl)-7-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-methylquinoline-2-carbonitrile;1-methylimidazolidine-2,4-dione?
7-(bromomethyl)-4-(4-fluorophenyl)quinoline-2-carbonitrile;4-(4-fluorophenyl)-7-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]quinoline-2-carbonitrile;4-(4-fluorophenyl)-7-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-methylquinoline-2-carbonitrile;1-methylimidazolidine-2,4-dione has a molecular weight of 1484.34 g/mol, XLogP of 14.04, 10 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(bromomethyl)-4-(4-fluorophenyl)quinoline-2-carbonitrile;4-(4-fluorophenyl)-7-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]quinoline-2-carbonitrile;4-(4-fluorophenyl)-7-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-methylquinoline-2-carbonitrile;1-methylimidazolidine-2,4-dione is sourced from PubChem (CID 159079029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).